diff --git a/README.md b/README.md index 4ac4331e..af10557e 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,4 @@ -[![DOI](https://zenodo.org/badge/362395439.svg)](https://zenodo.org/badge/latestdoi/362395439) +[![DOI](https://zenodo.org/badge/362395439.svg)](https://zenodo.org/badge/latestdoi/362395439) [![PyPI version](https://badge.fury.io/py/drexml.svg)](https://badge.fury.io/py/drexml) [![pdm-managed](https://img.shields.io/badge/pdm-managed-blueviolet)](https://pdm.fming.dev) # Drug REpurposing using eXplainable Machine Learning and Mechanistic Models of signal transduction diff --git a/drexml/cli/cli.py b/drexml/cli/cli.py index 0032ac75..dc18c87d 100644 --- a/drexml/cli/cli.py +++ b/drexml/cli/cli.py @@ -30,7 +30,7 @@ ) from drexml.datasets import get_data -from drexml.plotting import plot_metrics +from drexml.plotting import RepurposingResult from drexml.utils import ( check_gputree_availability, get_number_cuda_devices, @@ -314,13 +314,51 @@ def run(ctx, **kwargs): @main.command() -@click.argument("stab-path", type=click.Path(exists=True)) +@click.argument("sel-path", type=click.Path(exists=True)) +@click.argument("score-path", type=click.Path(exists=True)) +@click.argument("stability-path", type=click.Path(exists=True)) +@click.argument("output-folder", type=click.Path(exists=True)) +@click.option( + "--gene", + type=str, + help="Gene (KDT) Symbol to plot its repurposing profile.", +) @click.version_option(get_version()) @click.pass_context -def plot(ctx, stab_path): +def plot(ctx, sel_path, score_path, stability_path, output_folder, gene): """Plot the stability results""" - plot_metrics(stab_path) + results = RepurposingResult( + sel_mat=sel_path, score_mat=score_path, stab_mat=stability_path + ) + + # Tests already covered in plotting. + if gene: # pragma: no cover + try: + results.plot_gene_profile(gene=gene, output_folder=output_folder) + except KeyError as kerr: + print(kerr) + click.echo(f"Gene {gene} not in relevance matrix.") + except Exception as e: + print(e) + + else: + try: + results.plot_metrics(output_folder=output_folder) + except Exception as e: # pragma: no cover + print(e) + click.echo("skipping metrics plot.") + + for use_filter in [True, False]: + try: + results.plot_relevance_heatmap( + remove_unstable=use_filter, output_folder=output_folder + ) + except Exception as e: # pragma: no cover + print(e) + click.echo( + f"skipping relevance heatmap for filter set to: {use_filter}" + ) if __name__ == "__main__": diff --git a/drexml/cli/stab_explainer.py b/drexml/cli/stab_explainer.py index 90f903e4..397d03de 100644 --- a/drexml/cli/stab_explainer.py +++ b/drexml/cli/stab_explainer.py @@ -165,7 +165,7 @@ def runner(model, bkg, new, check_add, use_gpu): print(f"Shap summary results saved to: {shap_summary_fpath}") shap_summary_renamed = convert_names( - shap_relevances.set_index(shap_relevances.columns[0]), + shap_relevances, ["circuits", "genes"], axis=[0, 1], ) @@ -183,9 +183,7 @@ def runner(model, bkg, new, check_add, use_gpu): (filt_i * 1).to_csv(fs_fpath, sep="\t") print(f"Shap selection results saved to: {fs_fpath}") - fs_renamed = convert_names( - filt_i.set_index(filt_i.columns[0]), ["circuits", "genes"], axis=[0, 1] - ) + fs_renamed = convert_names(filt_i, ["circuits", "genes"], axis=[0, 1]) fs_renamed.to_csv( fs_fpath.absolute().parent.joinpath(f"{fs_fpath.stem}_symbol.tsv"), sep="\t", diff --git a/drexml/config.py b/drexml/config.py index 23cc170e..90f2de78 100644 --- a/drexml/config.py +++ b/drexml/config.py @@ -6,6 +6,7 @@ DEFAULT_DICT = { "seed_genes": None, + "disease_id": None, "use_physio": "true", "gene_exp": None, "gene_exp_zenodo": False, diff --git a/drexml/datasets.py b/drexml/datasets.py index 748aa7a5..e29cccf0 100644 --- a/drexml/datasets.py +++ b/drexml/datasets.py @@ -5,6 +5,7 @@ import pathlib import pandas as pd +import pystow from pandas.errors import ParserError from requests.exceptions import ConnectTimeout from zenodo_client import Zenodo @@ -14,7 +15,77 @@ RECORD_ID = "6020480" +def load_disgenet(): + """Download if necessary and load the Disgenet curated list of gene-disease + associations. + + Returns + ------- + pd.DataFrame + Disgenet curated dataset of gene-disease associations. + """ + + url = "/".join( + [ + "https:/", + "www.disgenet.org", + "static", + "disgenet_ap1", + "files", + "downloads", + "curated_gene_disease_associations.tsv.gz", + ] + ) + + disgenet: pd.DataFrame = pystow.ensure_csv( + "drexml", "datasets", url=url, read_csv_kwargs={"sep": "\t"} + ) + + disgenet = disgenet.rename( + columns={ + "geneId": "entrez_id", + "diseaseId": "disease_id", + "diseaseName": "disease_name", + "score": "dga_score", + } + ).loc[:, ["disease_name", "disease_id", "entrez_id", "dga_score"]] + + return disgenet + + +def get_gda(disease_id, k_top=40): + """Retrieve the list of genes associated to a disese according to the Disgenet + curated list of gene-disease associations. + + Parameters + ---------- + disease_id : str + Disease ID. + + k_top: int + Retrieve at most k_top genes based on the GDA score. + + Returns + ------- + list + List of gene IDs. + """ + disgenet = load_disgenet() + disgenet = disgenet.loc[disgenet["disease_id"] == disease_id] + disgenet = disgenet.nlargest(k_top, "dga_score") + + return disgenet.entrez_id.astype(str).unique().tolist() + + def load_physiological_circuits(): + """Load the list of physiological circuits. + + Returns + ------- + list + List of physiological circuit IDs. + + """ fpath = get_resource_path("circuit_names.tsv.gz") circuit_names = pd.read_csv(fpath, sep="\t").set_index("circuit_id") circuit_names.index = circuit_names.index.str.replace("-", ".").str.replace( @@ -174,9 +245,12 @@ def preprocess_frame(res, env, key): elif key == "pathvals": return preprocess_activities(res) elif key == "circuits": - return preprocess_map( - res, env["seed_genes"], env["circuits_column"], env["use_physio"] - ) + gene_list = [] + if env["seed_genes"]: + gene_list += env["seed_genes"] + if env["disease_id"]: + gene_list += [str(gene) for gene in get_gda(env["disease_id"])] + return preprocess_map(res, gene_list, env["circuits_column"], env["use_physio"]) elif key == "genes": return preprocess_genes(res, env["genes_column"]) @@ -279,6 +353,7 @@ def preprocess_map(frame, disease_seed_genes, circuits_column, use_physio): """ frame.index = frame.index.str.replace("-", ".").str.replace(" ", ".") if disease_seed_genes: + print(disease_seed_genes) disease_seed_genes = frame.columns.intersection(disease_seed_genes) circuits = frame.index[frame[disease_seed_genes].any(axis=1)].tolist() else: diff --git a/drexml/plotting.py b/drexml/plotting.py index 63e3ba72..51d58610 100644 --- a/drexml/plotting.py +++ b/drexml/plotting.py @@ -3,82 +3,256 @@ Plotting module for DREXML. """ import pathlib +from dataclasses import dataclass import matplotlib.pyplot as plt import pandas as pd import seaborn as sns +from sklearn.preprocessing import maxabs_scale -def plot_metrics(input_path, output_folder=None, width=2.735): +@dataclass(frozen=False) +class RepurposingResult: """ - Read the drexml results TSV file and plot it. The R^2 confidence interval for the - mean go to y-axis, whereas the x-axis shows the 95% interval for the Nogueiras's - stability stimate. - - Parameters - ---------- - input_path : str - Path to the input file. - output_folder : str, optional - Path to the output folder. If None, the output folder is the same - as the input folder. - width : float, optional - Width of the plot. - + Class for storing the results of the DREXML analysis. """ - input_path = pathlib.Path(input_path).absolute() - if output_folder is None: - output_folder = input_path.parent - else: - output_folder = pathlib.Path(output_folder) - - results_df = pd.read_csv(input_path, sep="\t").fillna(0) - results_df["r2_error"] = 1.96 * results_df.r2_std / 2 - results_df = results_df.sort_values(by="stability", ascending=True).reset_index() - - custom_params = { - "axes.spines.right": False, - "axes.spines.top": False, - "axes.spines.left": False, - "axes.spines.bottom": False, - } - sns.set_theme( - style="whitegrid", palette="colorblind", context="paper", rc=custom_params - ) - - fig, ax = plt.subplots(1, 1) - - plt.scatter(results_df.stability, results_df.r2_mean, s=1) - plt.errorbar( - results_df.stability, - results_df.r2_mean, - yerr=results_df.r2_error, - linestyle="None", - linewidth=1, - label=r"$R^2$ mean 95% CI", - ) - plt.errorbar( - results_df.stability, - results_df.r2_mean, - xerr=results_df.stability - results_df.stability_lower_95ci, - linestyle="None", - linewidth=1, - label="Stability 95% CI", - ) - - ax.axvspan(0, 0.4, color="red", alpha=0.1) - ax.axvspan(0.4, 0.75, color="y", alpha=0.1) - ax.axvspan(0.75, 1.0, color="g", alpha=0.1) - ax.set_xticks([0, 0.4, 0.75, 1]) - - plt.xlabel("Stability") - plt.ylabel(r"$R^2$ score") - plt.legend() - - fig.tight_layout() - fig.set_size_inches(width, (width * 3) / 4) - - fname = input_path.stem - plt.savefig(output_folder.joinpath(f"{fname}.png"), dpi=300, bbox_inches="tight") - plt.savefig(output_folder.joinpath(f"{fname}.pdf"), bbox_inches="tight") + sel_mat: "pd.DataFrame | pathlib.Path | str" = pd.DataFrame + score_mat: "pd.DataFrame | pathlib.Path | str" = pd.DataFrame + stab_mat: "pd.DataFrame | pathlib.Path | str" = pd.DataFrame + + # stable_circuits: list = field(init=False) + + def __post_init__(self): + if isinstance(self.sel_mat, (str, pathlib.Path)): + self.sel_mat = pd.read_csv(self.sel_mat, index_col=0, sep="\t") + + if isinstance(self.score_mat, (str, pathlib.Path)): + self.score_mat = pd.read_csv(self.score_mat, index_col=0, sep="\t") + + if isinstance(self.stab_mat, (str, pathlib.Path)): + self.stab_mat = pd.read_csv(self.stab_mat, index_col=0, sep="\t") + + self.stable_circuits = self.get_stable_circuits() + + def get_stable_circuits(self): + """ + Get the stable circuits. + + Returns + ------- + stable_circuits : list + List of stable circuits. + + """ + + stable_circuits = self.stab_mat[ + (self.stab_mat["stability_lower_95ci"] > 0.4) + & (self.stab_mat["stability_upper_95ci"] > 0.75) + ].index.tolist() + + return stable_circuits + + def filter_scores(self, remove_unstable=True): + """ + Filter the scores to only the selected genes and stable circuits. + + Parameters + ---------- + remove_unstable : bool, optional + Remove unstable circuits, by default True + + Returns + ------- + scores_filt : pandas.DataFrame + Filtered scores. + """ + scores_filt = self.score_mat.multiply(self.sel_mat) + scores_filt = scores_filt.transform(maxabs_scale) + if remove_unstable: + scores_filt = scores_filt.loc[ + scores_filt.index.intersection(self.stable_circuits) + ] + scores_filt = scores_filt.loc[scores_filt.abs().sum(axis=1) > 0] + scores_filt = scores_filt.loc[:, scores_filt.abs().sum(axis=0) > 0] + + return scores_filt + + def plot_relevance_heatmap( + self, remove_unstable=True, output_folder=None + ): # pragma: no cover + """ + Plot the relevance heatmap of the scores. + + Parameters + ---------- + remove_unstable : bool, optional + Remove unstable circuits, by default True + output_folder : str, optional + Output folder, by default None + + Returns + ------- + None. + + """ + sns.set_context("paper", font_scale=0.6) + scores_filt = self.filter_scores(remove_unstable=remove_unstable) + + cbar_specs = {"orientation": "horizontal", "label": "Relevance"} + sns.clustermap( + scores_filt, + cmap=sns.color_palette("vlag", as_cmap=True), + cbar_kws=cbar_specs, + cbar_pos=(0.02, 0.89, 0.1, 0.025), + row_cluster=True, + vmin=-1, + vmax=1, + yticklabels=True, + xticklabels=True, + ) + + if output_folder is not None: + output_folder = pathlib.Path(output_folder) + if remove_unstable: + fname = "relevance_heatmap_filtered" + else: + fname = "relevance_heatmap" + + plt.savefig( + output_folder.joinpath(f"{fname}.png"), dpi=300, bbox_inches="tight" + ) + plt.savefig(output_folder.joinpath(f"{fname}.pdf"), bbox_inches="tight") + else: + plt.show() + + def plot_gene_profile(self, gene: str, output_folder=None): + """ + Plot the gene profile. + + Parameters + ---------- + gene : str + Gene name. + output_folder : str, optional + Output folder, by default None + + Returns + ------- + None. + + """ + + scores = self.filter_scores(remove_unstable=False) + if gene not in scores.columns: + raise KeyError + signal = scores[gene] + signal = signal[signal.abs() > 0].sort_values(ascending=False) + + sns.set_context("paper", font_scale=1) + width = 1 + height = (signal.size * 1.1) / 4 + plt.figure(figsize=(width, height)) + ax = sns.heatmap( + signal.to_frame(), + cbar_kws={"label": "Relevance"}, + cmap=sns.color_palette("vlag", as_cmap=True), + vmin=-1, + vmax=1, + yticklabels=True, + xticklabels=True, + ) + ax.set_ylabel("") + + for tick_label in ax.get_yticklabels(): + if tick_label.get_text() not in self.stable_circuits: + tick_label.set_color("grey") + + if output_folder is not None: + output_folder = pathlib.Path(output_folder) + fname = f"profile_{gene.lower()}" + plt.savefig( + output_folder.joinpath(f"{fname}.png"), dpi=300, bbox_inches="tight" + ) + plt.savefig(output_folder.joinpath(f"{fname}.pdf"), bbox_inches="tight") + else: # pragma: no cover + plt.show() + + def plot_metrics(self, width=2.735, output_folder=None): + """ + Read the drexml results TSV file and plot it. The R^2 confidence interval for the + mean go to y-axis, whereas the x-axis shows the 95% interval for the Nogueiras's + stability stimate. + + Parameters + ---------- + width : float, optional + Width of the plot. + + output_folder : str, optional + Path to the output folder. If None, the output folder is the same + as the input folder. + + Returns + ------- + None. + """ + + results_df = self.stab_mat.copy() + results_df["r2_error"] = 1.96 * results_df.r2_std / 2 + results_df = results_df.sort_values( + by="stability", ascending=True + ).reset_index() + + custom_params = { + "axes.spines.right": False, + "axes.spines.top": False, + "axes.spines.left": False, + "axes.spines.bottom": False, + } + sns.set_theme( + style="whitegrid", palette="colorblind", context="paper", rc=custom_params + ) + + fig, ax = plt.subplots(1, 1) + + plt.scatter(results_df.stability, results_df.r2_mean, s=1) + plt.errorbar( + results_df.stability, + results_df.r2_mean, + yerr=results_df.r2_error, + linestyle="None", + linewidth=1, + label=r"$R^2$ mean 95% CI", + ) + plt.errorbar( + results_df.stability, + results_df.r2_mean, + xerr=results_df.stability - results_df.stability_lower_95ci, + linestyle="None", + linewidth=1, + label="Stability 95% CI", + ) + + ax.axvspan(0, 0.4, color="red", alpha=0.1) + ax.axvspan(0.4, 0.75, color="y", alpha=0.1) + ax.axvspan(0.75, 1.0, color="g", alpha=0.1) + ax.set_xticks([0, 0.4, 0.75, 1]) + + plt.xlabel("Stability") + plt.ylabel(r"$R^2$ score") + plt.legend() + + fig.tight_layout() + fig.set_size_inches(width, (width * 3) / 4) + + if output_folder is not None: + output_folder = pathlib.Path(output_folder) + fname = "metrics" + plt.savefig( + output_folder.joinpath(f"{fname}.png"), dpi=300, bbox_inches="tight" + ) + plt.savefig(output_folder.joinpath(f"{fname}.pdf"), bbox_inches="tight") + + else: # pragma: no cover + plt.show() diff --git a/drexml/utils.py b/drexml/utils.py index 4baf741b..f1fa36f0 100644 --- a/drexml/utils.py +++ b/drexml/utils.py @@ -314,6 +314,35 @@ def convert_names(dataset, keys, axis): return dataset +def read_disease_id(config): + """Read disease id from config file. It expects a disease id using the UMLS. + + Parameters + ---------- + config : dict + Parsed config dict. + + Returns + ------- + dict + Updated config dict. + + Raises + ------ + ValueError + Raise error if format is unsupported. + """ + try: + if config["disease_id"] is not None: + config["disease_id"] = str(config["disease_id"]) + except ValueError as err: + print(err) + print("seed_genes should be a comma-separated list of genes.") + raise + + return config + + def read_seed_genes(config): """Read seed genes from config file. It expect a comma-separated list of entrez ids. @@ -537,6 +566,7 @@ def read_disease_config(disease): config[key] = DEFAULT_DICT[key] config = read_seed_genes(config) + config = read_disease_id(config) config = read_use_physio(config) config = read_activity_normalizer(config) config = read_path_based(config, key="gene_exp", data_path=env_parent_path) @@ -817,8 +847,8 @@ def update_circuits(config): """ if config["circuits"] is None: - if config["seed_genes"] is None: - raise ValueError("Either circuits or seed_genes list is required.") + if config["seed_genes"] is None and config["disease_id"] is None: + raise ValueError("Provide on of circuits, disease_id or gene_seeds.") if (config["GTEX_VERSION"] != DEFAULT_DICT["GTEX_VERSION"]) or ( config["HIPATHIA_VERSION"] != DEFAULT_DICT["HIPATHIA_VERSION"] ): diff --git a/examples/fanconi_anemia/ORA_drugs.py b/examples/fanconi_anemia/ORA_drugs.py new file mode 100644 index 00000000..c70a598e --- /dev/null +++ b/examples/fanconi_anemia/ORA_drugs.py @@ -0,0 +1,120 @@ +# -*- coding: utf-8 -*- +""" +Over representation analysis of ATC classifiction across levels for SHAP selected drugs. +""" + +import pathlib +import shutil +import urllib.request + +import dotenv +import numpy as np +import pandas as pd +from statsmodels.stats.multitest import multipletests + + +def fdr(pvalues): + """ + Function to apply Benjamini-Hochberg FDR p-value correction for multiple hypothesis testing. + + Args: + pvalues (array-like): array of p-values to correct. + + Returns: + array: corrected p-values. + """ + return multipletests(pvalues, alpha=0.05, method="fdr_bh")[1] + + +def main(db_path, atc_path): + """ + Main function that reads drugbank data and ATC codes, applies over-representation analysis + on selected drugs at different ATC levels, and saves the results. + + Args: + db_path (str): Path to the drugbank data file. + atc_path (str): Path to the ATC codes file. + + Returns: + None + """ + db_path = pathlib.Path(db_path) + atc_path = pathlib.Path(atc_path) + np.random.seed(42) + + project_root = pathlib.Path(dotenv.find_dotenv()).absolute().parent + data_folder = project_root.joinpath("data") + data_folder.joinpath("raw") + final_folder = data_folder.joinpath("final") + results_folder = project_root.joinpath("results") + tables_folder = results_folder.joinpath("tables") + tables_folder.mkdir(parents=True, exist_ok=True) + + atc_url = "https://raw.githubusercontent.com/fabkury/atcd/master/WHO%20ATC-DDD%202021-12-03.csv" + + # If ATC codes file doesn't exist, download it from the internet + if not atc_path.exists(): + with urllib.request.urlopen(atc_url) as response, open( + atc_path, "wb" + ) as out_file: + shutil.copyfileobj(response, out_file) + + atc_code_name = pd.read_csv(atc_path, usecols=["atc_code", "atc_name"]) + + # Read data files + shap_selection_df = pd.read_csv( + results_folder.joinpath("ml", "shap_selection_symbol.tsv"), + sep="\t", + index_col=0, + ) + drugbank_df = pd.read_csv(final_folder.joinpath(db_path), sep="\t").assign( + is_selected=lambda x: x.symbol_id.isin( + shap_selection_df.columns[shap_selection_df.any()] + ) + ) + + atc_level_to_len = {1: 1, 2: 3, 3: 4, 4: 5} + + ora_min_len = 3 + + # Apply over-representation analysis on selected drugs at different ATC levels + for atc_level, level_len in atc_level_to_len.items(): + # Preprocess the data for ORA + tmp_df = ( + drugbank_df.loc[:, ["drugbank_id", "atc_codes", "is_selected"]] + .dropna() + .drop_duplicates() + .groupby("drugbank_id") + .agg({"atc_codes": list, "is_selected": "any"}) + .reset_index() + .explode("atc_codes") + .assign(atc_codes=lambda x: x.atc_codes.str.split("|")) + .explode("atc_codes") + .assign(atc_codes=lambda x: x.atc_codes.str[:level_len]) + .drop_duplicates() + ) + atc_dict = ( + tmp_df[["drugbank_id", "atc_codes"]] + .groupby("atc_codes") + .agg({"drugbank_id": list}) + .to_dict()["drugbank_id"] + ) + background = tmp_df.drugbank_id.unique() + drugs_selected = tmp_df.drugbank_id[tmp_df.is_selected].unique() + + # Apply ORA + for atc_code in atc_dict.keys(): + drug_list_in_atc = np.unique(atc_dict[atc_code]) + n_drug_list_in_atc = drug_list_in_atc.size + if n_drug_list_in_atc < ora_min_len: + print(f"Ignore ATC codes with less than {ora_min_len} drugs") + else: + np.intersect1d(drugs_selected, drug_list_in_atc) + np.setdiff1d(drugs_selected, drug_list_in_atc) + + drugs_in_atc_not_selected = np.intersect1d( + drug_list_in_atc, np.setdiff1d(background, drugs_selected) + ) + drugs_notin_atc_not_selected = np.setdiff1d( + np.setdiff1d(background, drugs_selected), drug_list_in_atc + ) diff --git a/examples/fanconi_anemia/boxplots_shap_scores.py b/examples/fanconi_anemia/boxplots_shap_scores.py new file mode 100644 index 00000000..cc31093e --- /dev/null +++ b/examples/fanconi_anemia/boxplots_shap_scores.py @@ -0,0 +1,57 @@ +# -*- coding: utf-8 -*- +""" +SHAP scores analysis on boxplots for DREXML. +""" + +import matplotlib.pyplot as plt +import pandas as pd +import seaborn as sns + + +def create_boxplots(data_folder, filtered_file_name): + """ + This function reads the filtered data, creates boxplots of the scores from the relevant drug-targets on the disease circuits, and saves the boxplots to a .pdf file. + + Args: + data_folder (str): The path to the data folder. + filtered_file_name (str): The name of the shap scores filtered file. + + Returns: + None. The boxplots are saved as a .pdf file. + """ + # Load the previous filtered table + data = pd.read_csv(f"{data_folder}/{filtered_file_name}", sep="\t", index_col=0) + + # Melt the DataFrame to make it suitable for boxplots + data.reset_index(inplace=True) ## Reset the index back to a column + melted_data = data.melt(id_vars="circuit_name") + + # Compute median of each column + medians = ( + melted_data.groupby("variable")["value"].median().sort_values(ascending=False) + ) + + # Order the data based on medians + melted_data["variable"] = pd.Categorical( + melted_data["variable"], categories=medians.index, ordered=True + ) + + # Calculate the width size based on the number of variables + num_variables = melted_data["variable"].nunique() + fig_width = max(10, num_variables / 2) # adjust this formula as needed + + # Create the boxplots + plt.rcParams["font.family"] = "DejaVu Sans" + plt.figure(figsize=(fig_width, 12), facecolor="white") + sns.set_style("whitegrid") # set Seaborn style to white grid + boxplot = sns.boxplot(x="variable", y="value", data=melted_data) + # Set the font size for x tick labels + # boxplot.set_xticklabels(boxplot.get_xticklabels(), size=15) + + plt.xticks(rotation=40, ha="right") + plt.title("Boxplots of SHAP-Scores") + plt.ylabel("SHAP Scores") + plt.xlabel("Drug-target") + plt.tight_layout() + plt.savefig(f"{data_folder}/relevant_drugTargetscores_boxplots.pdf", dpi=300) + plt.show() diff --git a/examples/fanconi_anemia/experiment.env b/examples/fanconi_anemia/experiment.env new file mode 100644 index 00000000..a97ef791 --- /dev/null +++ b/examples/fanconi_anemia/experiment.env @@ -0,0 +1,3 @@ +disease_id="C0015625" +use_physio=false +activity_normalizer=true diff --git a/examples/fanconi_anemia/heatmap_shap_scores.py b/examples/fanconi_anemia/heatmap_shap_scores.py new file mode 100644 index 00000000..525b7013 --- /dev/null +++ b/examples/fanconi_anemia/heatmap_shap_scores.py @@ -0,0 +1,135 @@ +# -*- coding: utf-8 -*- +""" +SHAP scores analysis on Heatmap for DREXML. +""" + +import matplotlib.pyplot as plt +import pandas as pd +import seaborn as sns + + +def create_heatmap_KDTsCir_annot(data_folder, assets_folder, filtered_file_name): + """ + This function reads the filtered shap_relevant_table data generated from the process_data() function and the annotations + of the most common drug-effect over the drug-targets. Then, it creates a heatmap with the drug-targets (annotated with the most + common drug effect on top) as columns and the circuits as rows, filled with the SHAP scores obtained. + The heatmap is saved to a .pdf file on the same data_folder. + + Args: + data_folder (str): The path to the data folder. + assets_folder (str): The path to the assets folder. + filtered_file_name (str): The name of the shap scores filtered file. + + Returns: + None. The heatmap is saved as a .pdf file. + """ + # Load the previous filtered table + filtered_df_stable = pd.read_csv( + f"{data_folder}/{filtered_file_name}", sep="\t", index_col=0 + ) + + # Load annotations of the most common drug-effects over the drug-targets + annots = pd.read_csv( + f"{assets_folder}/drugbank-v050110_mostdrugeffects_KDTs.tsv", + sep="\t", + index_col=0, + ) + + # Subset the relevant drug-targets + annots = annots.loc[ + annots.index.intersection(filtered_df_stable.columns), + ] + + drug_action_colors = { + "Inhibitor": "magenta", + "Activator": "cyan", + "Ligand": "yellow", + "other": "grey", + "Modulator": "orange", + } + drug_action_colors_list = [ + drug_action_colors[action] for action in annots["drug_action"] + ] + + # If the number of circuits is greater than 50, group by pathways + if filtered_df_stable.shape[0] > 50: + # Split the circuit names by ": " to get the pathways + filtered_df_stable.index = filtered_df_stable.index.str.split(": ").str[0] + + # Aggregate by pathway + filtered_df_stable = filtered_df_stable.groupby(level=0).mean() + + # Calculate the figure size and the font size based on the number of rows and columns + num_rows, num_cols = filtered_df_stable.shape + scale_factor = max(num_rows, num_cols) ** 0.5 # adjust this as needed + + fig_width = max(50, num_cols / scale_factor) # adjust this as needed + fig_height = max(30, num_rows / scale_factor) # adjust this as needed + # font_size = min(5, 300 / max(num_rows, num_cols)) # adjust this as needed + + # Create the clustermap with adjusted size + cluster_map = sns.clustermap( + filtered_df_stable, + cmap="RdBu_r", + col_colors=[drug_action_colors_list], + linewidths=0.5, + cbar_kws={"label": "SHAP Value"}, + figsize=(fig_width, fig_height), + ) + # cluster_map.ax_heatmap.tick_params(axis='both', which='major', labelsize= 0.8) + # Add titles to the x and y axes + cluster_map.ax_heatmap.set_xlabel("Drug-target") + cluster_map.ax_heatmap.set_ylabel("Pathway name") + + print( + "The number of circuits is greater than 50. The heatmap will be created using pathways." + ) + else: + print( + "The number of circuits is less than or equal to 50. The heatmap will be created using circuits." + ) + + sns.set(font_scale=1.5) # Adjust the font size if necessary + + # Create the clustermap with fixed size + cluster_map = sns.clustermap( + filtered_df_stable, + cmap="RdBu_r", + col_colors=[drug_action_colors_list], + linewidths=0.5, + cbar_kws={"label": "SHAP Value"}, + figsize=(20, 20), + ) + # Add titles to the x and y axes + cluster_map.ax_heatmap.set_xlabel("Drug-target") + cluster_map.ax_heatmap.set_ylabel("Circuit name") + + # Add a title to the color legend + legend_elements = [ + plt.Line2D( + [0], + [0], + marker="o", + color="w", + markerfacecolor=color, + label=action, + markersize=15, + ) + for action, color in drug_action_colors.items() + ] + legend = plt.legend( + handles=legend_elements, + title="Drug Action", + loc="upper left", + bbox_to_anchor=(15, 1), + ) + legend.get_frame().set_facecolor("white") + + # Add a title to the entire figure + plt.suptitle( + "Heatmap of Disease Map and relevant Drug-targets", fontsize=30, y=1.05 + ) + + # Save the plot + plt.savefig(f"{data_folder}/heatmap_circuits_KDT_drugeff.pdf", dpi=300) + plt.show() diff --git a/examples/fanconi_anemia/heatmap_top30KDT_drugs.py b/examples/fanconi_anemia/heatmap_top30KDT_drugs.py new file mode 100644 index 00000000..1405479a --- /dev/null +++ b/examples/fanconi_anemia/heatmap_top30KDT_drugs.py @@ -0,0 +1,108 @@ +# -*- coding: utf-8 -*- +""" +Analysis of drugs from the top 10 drug-targets on a Heatmap over disease circuits or pathways depending on size. +""" + +import matplotlib.pyplot as plt +import pandas as pd +import seaborn as sns + + +def create_heatmap_drugsCircuit_top30KDTs( + data_folder, filtered_file_name, assets_folder +): + """ + This function reads the filtered matrix of shap scores (columns=drug-targets, rows = disease-circuits) and the drug-target-effects data, + filters the top 30 best-scored drug-targets from SHAP and creates a heatmap with the drugs from the top 10 scored targets and the circuits. + If the number of circuits is greater than 50, the circuits are grouped by their pathways (the first part of the circuit name before ": "). + + Args: + data_folder (str): The path to the data folder where all results from the DREXML model are. + filtered_file_name (str): The name of the shap scores filtered data file. + assets_folder (str): The path to the assets folder where the drug-target interactions file is located. + + Returns: + A heatmap is displayed and saved in the data folder. + """ + + # Read the genes data + df = pd.read_csv(f"{data_folder}/{filtered_file_name}", sep="\t", index_col=0) + + # Calculate the mean of absolute values for each gene + mean_scores = df.abs().mean() + + # Get the top 10 genes by mean score + top_10_genes = mean_scores.nlargest(30) + + # Read the drugs data + df_drugs = pd.read_csv( + f"{assets_folder}/drugbank-v050110_alldrugbyaction.tsv", + sep="\t", + skiprows=1, + names=["Drug", "Action", "KDT", "Gene", "Drug_effect", "drugKDT"], + ) + + # Filter the drugs that target the top 10 genes + df_drugs_top_10_genes = df_drugs[df_drugs["Gene"].isin(top_10_genes.index)] + + # Create a new dataframe where each row corresponds to a drug and a circuit, and the value is the mean score of the top gene targeted by the drug in that circuit + df_heatmap_10 = pd.DataFrame( + index=df.index.unique(), columns=df_drugs_top_10_genes["Drug"].unique() + ) + + # Populate the dataframe with mean scores + for circuit in df_heatmap_10.index: + for drug in df_heatmap_10.columns: + # Get the genes targeted by the drug + genes = df_drugs_top_10_genes.loc[ + df_drugs_top_10_genes["Drug"] == drug, "Gene" + ].values + + # Calculate the mean score of the genes in the circuit + df_heatmap_10.loc[circuit, drug] = df.loc[circuit, genes].abs().mean() + + # Convert the scores to floats + df_heatmap_10 = df_heatmap_10.astype(float) + + # If the number of circuits is greater than 50, group by pathways + if df_heatmap_10.shape[0] > 50: + # Split the circuit names by ": " to get the pathways + df_heatmap_10.index = df_heatmap_10.index.str.split(": ").str[0] + + # Aggregate by pathway + df_heatmap_10 = df_heatmap_10.groupby(level=0).mean() + + # Calculate the figure size and the font size based on the number of rows and columns + num_rows, num_cols = df_heatmap_10.shape + scale_factor = max(num_rows, num_cols) ** 0.5 # adjust this as needed + + fig_width = max(20, num_cols / scale_factor) # adjust this as needed + fig_height = max(20, num_rows / scale_factor) # adjust this as needed + + font_size = 10.0 / scale_factor # adjust this as needed + + sns.set(font_scale=font_size) + + plt.figure(figsize=(fig_width, fig_height)) + plt.ylabel("Pathway") + + print( + "The number of circuits is greater than 50. The heatmap will be created using pathways." + ) + else: + print( + "The number of circuits is less than or equal to 50. The heatmap will be created using circuits." + ) + plt.figure(figsize=(40, 20)) + sns.set(font_scale=2) # Adjust the font size if necessary + plt.ylabel("Circuit") + + # Plot a heatmap + sns.heatmap(df_heatmap_10, cmap="Blues", center=0) + plt.title( + "Mean scores of the drugs from the top 10 best-scored drug-targets over the Disease Map " + ) + plt.xlabel("Drug") + plt.savefig(f"{data_folder}/heatmap_top10KDTdrugs_circuit.pdf", dpi=300) + plt.tight_layout() + plt.show() diff --git a/examples/fanconi_anemia/histograms_shap_scores.py b/examples/fanconi_anemia/histograms_shap_scores.py new file mode 100644 index 00000000..a1062106 --- /dev/null +++ b/examples/fanconi_anemia/histograms_shap_scores.py @@ -0,0 +1,54 @@ +# -*- coding: utf-8 -*- +""" +SHAP scores analysis on histograms for DREXML. +""" + +import matplotlib.pyplot as plt +import numpy as np +import pandas as pd +import seaborn as sns + + +def create_histograms( + data_folder, filtered_file_name="shap_filtered_stability_symbol.tsv" +): + """ + This function reads the shap scores filtered data, creates histograms from the SHAP scores of each drug-target, + and saves the histograms to a composed .pdf file. + + Args: + data_folder (str): The path to the data folder. + filtered_file_name (str): The name of the shap scores filtered file. + + Returns: + The histograms are saved as a .pdf file. + """ + # Load the previous filtered table + data = pd.read_csv(f"{data_folder}/{filtered_file_name}", sep="\t", index_col=0) + + # Number of columns in the data + num_cols = len(data.columns[1:]) + + # Calculate the number of rows required + num_rows = int(np.ceil(num_cols / 4.0)) + + # Set up the figure and axes + fig, axes = plt.subplots(num_rows, 4, figsize=(20, 3 * num_rows)) + + # Flatten the axes + axes = axes.flatten() + + # Remove the extra subplots + for i in range(num_cols, num_rows * 4): + fig.delaxes(axes[i]) + + # Create histograms for all score columns + for i, col in enumerate(data.columns[1:]): + sns.histplot(data[col], ax=axes[i], kde=True) + axes[i].set_title(col) + axes[i].set_xlabel("") # remove the x-label + + # Improve layout + plt.tight_layout() + plt.savefig(f"{data_folder}/relevantDrugTargets_scores.pdf", dpi=300) + plt.show() diff --git a/examples/fanconi_anemia/resources/drugbank-v050110_alldrugbyaction.tsv b/examples/fanconi_anemia/resources/drugbank-v050110_alldrugbyaction.tsv new file mode 100644 index 00000000..18892d80 --- /dev/null +++ b/examples/fanconi_anemia/resources/drugbank-v050110_alldrugbyaction.tsv @@ -0,0 +1,2771 @@ +drug drug_action KDT KDT_name Drug_effect_simplified +Vigabatrin inhibitor 18 ABAT Inhibitor +Probucol inhibitor 19 ABCA1 Inhibitor +Ponatinib inhibitor 25 ABL1 Inhibitor +Regorafenib inhibitor 25 ABL1 Inhibitor +Nilotinib inhibitor 25 ABL1 Inhibitor +Imatinib inhibitor 25 ABL1 Inhibitor +Bosutinib inhibitor 25 ABL1 Inhibitor +Asciminib inhibitor|allosteric modulator 25 ABL1 Inhibitor +Dasatinib multitarget 25 ABL1 Inhibitor +Sulfasalazine inhibitor 38 ACAT1 Inhibitor +Neostigmine inhibitor 43 ACHE Inhibitor +Pyridostigmine inhibitor 43 ACHE Inhibitor +Edrophonium inhibitor 43 ACHE Inhibitor +Demecarium inhibitor 43 ACHE Inhibitor +Gallamine triethiodide inhibitor 43 ACHE Inhibitor +Pralidoxime activator 43 ACHE Activator +Rivastigmine inhibitor 43 ACHE Inhibitor +Minaprine inhibitor 43 ACHE Inhibitor +Donepezil inhibitor 43 ACHE Inhibitor +Ambenonium inhibitor 43 ACHE Inhibitor +Physostigmine inhibitor 43 ACHE Inhibitor +Galantamine inhibitor 43 ACHE Inhibitor +Bempedoic acid inhibitor 47 ACLY Inhibitor +Sipuleucel-T other 55 ACP3 other +Human calcitonin incorporation into and destabilization 87 ACTN1 other +Pentostatin inhibitor 100 ADA Inhibitor +Dipyridamole inhibitor 100 ADA Inhibitor +Fomepizole inhibitor 124 ADH1A Inhibitor +Fomepizole inhibitor 125 ADH1B Inhibitor +Fomepizole inhibitor 126 ADH1C Inhibitor +Adenosine agonist 134 ADORA1 Activator +Theophylline antagonist 134 ADORA1 Inhibitor +Aminophylline antagonist 134 ADORA1 Inhibitor +Tramadol agonist 134 ADORA1 Activator +Oxtriphylline antagonist 134 ADORA1 Inhibitor +Caffeine antagonist 134 ADORA1 Inhibitor +Dyphylline antagonist 134 ADORA1 Inhibitor +Pentoxifylline agonist 135 ADORA2A Activator +Regadenoson agonist 135 ADORA2A Activator +Istradefylline antagonist 135 ADORA2A Inhibitor +Dyphylline antagonist 135 ADORA2A Inhibitor +Caffeine antagonist 135 ADORA2A Inhibitor +Theophylline antagonist 135 ADORA2A Inhibitor +Oxtriphylline antagonist 135 ADORA2A Inhibitor +Adenosine agonist 135 ADORA2A Activator +Adenosine agonist 136 ADORA2B Activator +Caffeine antagonist 136 ADORA2B Inhibitor +Enprofylline antagonist 136 ADORA2B Inhibitor +Theophylline antagonist 136 ADORA2B Inhibitor +Aminophylline antagonist 140 ADORA3 Inhibitor +Adenosine agonist 140 ADORA3 Activator +Caffeine antagonist 140 ADORA3 Inhibitor +Olaparib inhibitor 142 PARP1 Inhibitor +Niraparib inhibitor 142 PARP1 Inhibitor +Rucaparib inhibitor 142 PARP1 Inhibitor +Talazoparib inhibitor 142 PARP1 Inhibitor +Silodosin antagonist 146 ADRA1D Inhibitor +Dronedarone antagonist 146 ADRA1D Inhibitor +Alfuzosin antagonist 146 ADRA1D Inhibitor +Norepinephrine agonist 146 ADRA1D Activator +Terazosin antagonist 146 ADRA1D Inhibitor +Dapiprazole antagonist 146 ADRA1D Inhibitor +Racepinephrine antagonist 146 ADRA1D Inhibitor +Doxazosin antagonist 146 ADRA1D Inhibitor +Droxidopa agonist 146 ADRA1D Activator +Phenylephrine agonist 146 ADRA1D Activator +Prazosin antagonist 146 ADRA1D Inhibitor +Ergotamine partial agonist 146 ADRA1D Modulator +Ergotamine partial agonist 147 ADRA1B Modulator +Brexpiprazole antagonist 147 ADRA1B Inhibitor +Midodrine agonist 147 ADRA1B Activator +Chlorpromazine antagonist 147 ADRA1B Inhibitor +Terazosin antagonist 147 ADRA1B Inhibitor +Prazosin antagonist 147 ADRA1B Inhibitor +Alfuzosin antagonist 147 ADRA1B Inhibitor +Silodosin antagonist 147 ADRA1B Inhibitor +Dapiprazole antagonist 147 ADRA1B Inhibitor +Racepinephrine agonist 147 ADRA1B Activator +Droxidopa agonist 147 ADRA1B Activator +Dronedarone antagonist 147 ADRA1B Inhibitor +Phenylephrine agonist 147 ADRA1B Activator +Epinephrine agonist 147 ADRA1B Activator +Norepinephrine agonist 147 ADRA1B Activator +Terazosin antagonist 148 ADRA1A Inhibitor +Racepinephrine agonist 148 ADRA1A Activator +Benzphetamine agonist 148 ADRA1A Activator +Chlorpromazine antagonist 148 ADRA1A Inhibitor +Doxazosin antagonist 148 ADRA1A Inhibitor +Oxymetazoline partial agonist 148 ADRA1A Modulator +Metaraminol agonist 148 ADRA1A Activator +Isometheptene agonist 148 ADRA1A Activator +Xylometazoline agonist|partial agonist 148 ADRA1A Activator +Epinephrine agonist 148 ADRA1A Activator +Phenoxybenzamine antagonist 148 ADRA1A Inhibitor +Dronedarone antagonist 148 ADRA1A Inhibitor +Tolazoline antagonist 148 ADRA1A Inhibitor +Prazosin antagonist 148 ADRA1A Inhibitor +Silodosin antagonist 148 ADRA1A Inhibitor +Phenylephrine agonist 148 ADRA1A Activator +Trifluoperazine antagonist 148 ADRA1A Inhibitor +Dipivefrin agonist 148 ADRA1A Activator +Alfuzosin antagonist 148 ADRA1A Inhibitor +Nicergoline antagonist 148 ADRA1A Inhibitor +Methoxamine agonist 148 ADRA1A Activator +Naphazoline agonist 148 ADRA1A Activator +Ergotamine partial agonist 148 ADRA1A Modulator +Apraclonidine agonist 148 ADRA1A Activator +Midodrine agonist 148 ADRA1A Activator +Carvedilol antagonist|potentiator 148 ADRA1A Activator +Phentolamine antagonist 148 ADRA1A Inhibitor +Propiverine antagonist 148 ADRA1A Inhibitor +Phendimetrazine agonist 148 ADRA1A Activator +Dapiprazole antagonist 148 ADRA1A Inhibitor +Droperidol antagonist 148 ADRA1A Inhibitor +Pseudoephedrine agonist 148 ADRA1A Activator +Ergometrine agonist 148 ADRA1A Activator +Droxidopa agonist 148 ADRA1A Activator +Tamsulosin antagonist 148 ADRA1A Inhibitor +Ephedrine agonist 148 ADRA1A Activator +Norepinephrine agonist 148 ADRA1A Activator +Phentolamine antagonist 150 ADRA2A Inhibitor +Pseudoephedrine agonist 150 ADRA2A Activator +Epinephrine agonist 150 ADRA2A Activator +Apraclonidine agonist 150 ADRA2A Activator +Dexmedetomidine agonist 150 ADRA2A Activator +Clonidine agonist 150 ADRA2A Activator +DL-Methylephedrine agonist 150 ADRA2A Activator +Lofexidine agonist 150 ADRA2A Activator +Yohimbine antagonist 150 ADRA2A Inhibitor +Periciazine antagonist 150 ADRA2A Inhibitor +Mirtazapine antagonist 150 ADRA2A Inhibitor +Dronedarone antagonist 150 ADRA2A Inhibitor +Guanabenz agonist 150 ADRA2A Activator +Dipivefrin agonist 150 ADRA2A Activator +Naphazoline agonist 150 ADRA2A Activator +Brimonidine agonist 150 ADRA2A Activator +Norepinephrine agonist 150 ADRA2A Activator +Xylometazoline agonist 150 ADRA2A Activator +Guanfacine agonist 150 ADRA2A Activator +Methyldopa agonist 150 ADRA2A Activator +Droxidopa agonist 150 ADRA2A Activator +Benzphetamine agonist 150 ADRA2A Activator +Racepinephrine agonist 150 ADRA2A Activator +Oxymetazoline agonist|partial agonist 150 ADRA2A Activator +Phenoxybenzamine antagonist 150 ADRA2A Inhibitor +Moxonidine agonist 150 ADRA2A Activator +Clonidine agonist 151 ADRA2B Activator +Racepinephrine agonist 151 ADRA2B Activator +Droxidopa agonist 151 ADRA2B Activator +Norepinephrine agonist 151 ADRA2B Activator +Brimonidine agonist 151 ADRA2B Activator +Xylometazoline agonist 151 ADRA2B Activator +Dronedarone antagonist 151 ADRA2B Inhibitor +Yohimbine antagonist 151 ADRA2B Inhibitor +Oxymetazoline agonist 151 ADRA2B Activator +Etomidate agonist 151 ADRA2B Activator +Epinephrine agonist 151 ADRA2B Activator +Norepinephrine agonist 152 ADRA2C Activator +Brimonidine agonist 152 ADRA2C Activator +Dronedarone antagonist 152 ADRA2C Inhibitor +Yohimbine antagonist 152 ADRA2C Inhibitor +Droxidopa agonist 152 ADRA2C Activator +Brexpiprazole antagonist 152 ADRA2C Inhibitor +Clonidine agonist 152 ADRA2C Activator +Racepinephrine agonist 152 ADRA2C Activator +Pindolol partial agonist 153 ADRB1 Modulator +Propranolol antagonist 153 ADRB1 Inhibitor +Carteolol partial agonist 153 ADRB1 Modulator +DL-Methylephedrine agonist 153 ADRB1 Activator +Epinephrine agonist 153 ADRB1 Activator +Labetalol antagonist 153 ADRB1 Inhibitor +Dobutamine agonist 153 ADRB1 Activator +Levobunolol antagonist 153 ADRB1 Inhibitor +Racepinephrine agonist 153 ADRB1 Activator +Isoetharine agonist 153 ADRB1 Activator +Nebivolol antagonist 153 ADRB1 Inhibitor +Atenolol antagonist 153 ADRB1 Inhibitor +Levobetaxolol antagonist 153 ADRB1 Inhibitor +Sotalol antagonist 153 ADRB1 Inhibitor +Isoprenaline agonist 153 ADRB1 Activator +Metipranolol antagonist 153 ADRB1 Inhibitor +Nadolol antagonist 153 ADRB1 Inhibitor +Acebutolol partial agonist 153 ADRB1 Modulator +Oxprenolol antagonist 153 ADRB1 Inhibitor +Metoprolol antagonist 153 ADRB1 Inhibitor +Arbutamine agonist 153 ADRB1 Activator +Droxidopa agonist 153 ADRB1 Activator +Timolol antagonist 153 ADRB1 Inhibitor +Practolol antagonist 153 ADRB1 Inhibitor +Penbutolol antagonist|partial agonist 153 ADRB1 Activator +Bisoprolol antagonist 153 ADRB1 Inhibitor +Betaxolol antagonist 153 ADRB1 Inhibitor +Xamoterol partial agonist 153 ADRB1 Modulator +Norepinephrine agonist 153 ADRB1 Activator +Celiprolol antagonist 153 ADRB1 Inhibitor +Ephedrine agonist 153 ADRB1 Activator +Carvedilol antagonist 153 ADRB1 Inhibitor +Celiprolol agonist 154 ADRB2 Activator +Labetalol antagonist 154 ADRB2 Inhibitor +Orciprenaline agonist 154 ADRB2 Activator +Vilanterol agonist 154 ADRB2 Activator +Norepinephrine agonist 154 ADRB2 Activator +Epinephrine agonist 154 ADRB2 Activator +Terbutaline agonist 154 ADRB2 Activator +Arformoterol agonist 154 ADRB2 Activator +Pindolol partial agonist 154 ADRB2 Modulator +Isoprenaline agonist|binder 154 ADRB2 Activator +Penbutolol antagonist|partial agonist 154 ADRB2 Activator +Metipranolol antagonist 154 ADRB2 Inhibitor +Racepinephrine agonist 154 ADRB2 Activator +Timolol antagonist 154 ADRB2 Inhibitor +Fenoterol agonist 154 ADRB2 Activator +Sotalol antagonist 154 ADRB2 Inhibitor +Pirbuterol agonist 154 ADRB2 Activator +Ritodrine agonist 154 ADRB2 Activator +Levosalbutamol agonist 154 ADRB2 Activator +Droxidopa agonist 154 ADRB2 Activator +Etafedrine agonist 154 ADRB2 Activator +Procaterol agonist 154 ADRB2 Activator +Formoterol agonist 154 ADRB2 Activator +Indacaterol agonist 154 ADRB2 Activator +Salmeterol agonist 154 ADRB2 Activator +Olodaterol agonist 154 ADRB2 Activator +Levobunolol antagonist 154 ADRB2 Inhibitor +Salbutamol agonist 154 ADRB2 Activator +Carteolol antagonist 154 ADRB2 Inhibitor +Clenbuterol agonist 154 ADRB2 Activator +Dipivefrin agonist 154 ADRB2 Activator +Ephedrine agonist 154 ADRB2 Activator +Protokylol agonist 154 ADRB2 Activator +Vibegron agonist 155 ADRB3 Activator +Racepinephrine agonist 155 ADRB3 Activator +Droxidopa agonist 155 ADRB3 Activator +Isoprenaline agonist 155 ADRB3 Activator +Mirabegron agonist 155 ADRB3 Activator +Norepinephrine agonist 155 ADRB3 Activator +Irbesartan antagonist 185 AGTR1 Inhibitor +Candesartan cilexetil antagonist 185 AGTR1 Inhibitor +Telmisartan antagonist 185 AGTR1 Inhibitor +Valsartan antagonist 185 AGTR1 Inhibitor +Azilsartan medoxomil antagonist 185 AGTR1 Inhibitor +Olmesartan antagonist 185 AGTR1 Inhibitor +Losartan antagonist 185 AGTR1 Inhibitor +Eprosartan antagonist 185 AGTR1 Inhibitor +Tapinarof agonist 196 AHR Activator +Aminolevulinic acid inducer 210 ALAD Activator +Patent Blue binder 213 ALB Ligand +Guanidine inhibitor 217 ALDH2 Inhibitor +Disulfiram inhibitor 217 ALDH2 Inhibitor +Citric acid inhibitor 231 AKR1B1 Inhibitor +Ceritinib antagonist 238 ALK Inhibitor +Brigatinib inhibitor 238 ALK Inhibitor +Lorlatinib inhibitor 238 ALK Inhibitor +Alectinib inhibitor 238 ALK Inhibitor +Crizotinib inhibitor 238 ALK Inhibitor +Gilteritinib inhibitor 238 ALK Inhibitor +Meclofenamic acid inhibitor 240 ALOX5 Inhibitor +Balsalazide inhibitor 240 ALOX5 Inhibitor +Masoprocol inhibitor 240 ALOX5 Inhibitor +Diethylcarbamazine inhibitor 240 ALOX5 Inhibitor +Mesalazine inhibitor 240 ALOX5 Inhibitor +Sulfasalazine inhibitor 240 ALOX5 Inhibitor +Amifostine inducer 251 ALPG Activator +Acarbose inhibitor 279 AMY2A Inhibitor +Faricimab antagonist 285 ANGPT2 Inhibitor +Clodronic acid inhibitor 291 SLC25A4 Inhibitor +Clodronic acid inhibitor 292 SLC25A5 Inhibitor +Clodronic acid inhibitor 293 SLC25A6 Inhibitor +Hydrocortisone butyrate unknown 301 ANXA1 other +Hydrocortisone probutate unknown 301 ANXA1 other +Fluocinolone acetonide inducer 301 ANXA1 Activator +Hydrocortisone phosphate unknown 301 ANXA1 other +Hydrocortisone acetate unknown 301 ANXA1 other +Hydrocortisone cypionate unknown 301 ANXA1 other +Hydrocortisone agonist 301 ANXA1 Activator +Hydrocortisone valerate unknown 301 ANXA1 other +Fluocinolone acetonide inducer 302 ANXA2 Activator +Fluocinolone acetonide inducer 306 ANXA3 Activator +Fluocinolone acetonide inducer 307 ANXA4 Activator +Fluocinolone acetonide inducer 308 ANXA5 Activator +Dequalinium antagonist|inhibitor 331 XIAP Activator +Volanesorsen inhibitor|antisense oligonucleotide 345 APOC3 Activator +Florbetapir (18F) binder 351 APP Ligand +Flutemetamol (18F) binder 351 APP Ligand +Florbetaben (18F) binder 351 APP Ligand +Lutetium Lu-177 vipivotide tetraxetan binder 354 KLK3 Ligand +Gallium Ga-68 gozetotide binder 354 KLK3 Ligand +Clascoterone antagonist 367 AR Inhibitor +Testosterone cypionate agonist 367 AR Activator +Methyltestosterone agonist 367 AR Activator +Testosterone undecanoate agonist 367 AR Activator +Testosterone agonist 367 AR Activator +Flutamide antagonist 367 AR Inhibitor +Dienogest antagonist 367 AR Inhibitor +Enzalutamide inhibitor 367 AR Inhibitor +Testosterone enanthate agonist 367 AR Activator +Nilutamide antagonist 367 AR Inhibitor +Darolutamide antagonist 367 AR Inhibitor +Nandrolone decanoate agonist 367 AR Activator +Danazol agonist 367 AR Activator +Drospirenone antagonist 367 AR Inhibitor +Cyproterone acetate antagonist 367 AR Inhibitor +Fluoxymesterone agonist 367 AR Activator +Apalutamide antagonist 367 AR Inhibitor +Oxymetholone agonist|activator 367 AR Activator +Nandrolone phenpropionate agonist 367 AR Activator +Stanozolol agonist 367 AR Activator +Oxandrolone agonist 367 AR Activator +Bicalutamide antagonist 367 AR Inhibitor +Dalteparin potentiator 462 SERPINC1 Activator +Nadroparin potentiator 462 SERPINC1 Activator +Heparin potentiator 462 SERPINC1 Activator +Enoxaparin potentiator 462 SERPINC1 Activator +Sulodexide potentiator 462 SERPINC1 Activator +Tinzaparin potentiator 462 SERPINC1 Activator +Fondaparinux potentiator 462 SERPINC1 Activator +Methotrexate inhibitor 471 ATIC Inhibitor +Pemetrexed inhibitor 471 ATIC Inhibitor +Ciclopirox binder 476 ATP1A1 Ligand +Acetyldigitoxin inhibitor 476 ATP1A1 Inhibitor +Almitrine binder 476 ATP1A1 Ligand +Etacrynic acid inhibitor 476 ATP1A1 Inhibitor +Ouabain inhibitor 476 ATP1A1 Inhibitor +Trichlormethiazide inhibitor 476 ATP1A1 Inhibitor +Deslanoside inhibitor 476 ATP1A1 Inhibitor +Digoxin inhibitor 476 ATP1A1 Inhibitor +Digitoxin inhibitor 476 ATP1A1 Inhibitor +Bretylium inhibitor 476 ATP1A1 Inhibitor +Cyclothiazide inhibitor 486 FXYD2 Inhibitor +Esomeprazole inhibitor 495 ATP4A Inhibitor +Pantoprazole inhibitor 495 ATP4A Inhibitor +Lansoprazole inhibitor 495 ATP4A Inhibitor +Omeprazole inhibitor 495 ATP4A Inhibitor +Rabeprazole inhibitor 495 ATP4A Inhibitor +Dexlansoprazole inhibitor 495 ATP4A Inhibitor +Dexlansoprazole inhibitor 496 ATP4B Inhibitor +Gallium nitrate inhibitor 526 ATP6V1B2 Inhibitor +Thonzonium inhibitor 528 ATP6V1C1 Inhibitor +Desmopressin unknown 552 AVPR1A other +Conivaptan antagonist 552 AVPR1A Inhibitor +Terlipressin agonist 552 AVPR1A Activator +Lypressin unknown 552 AVPR1A other +Vasopressin agonist|regulator 552 AVPR1A Activator +Lypressin unknown 553 AVPR1B other +Terlipressin agonist 553 AVPR1B Activator +Vasopressin agonist 553 AVPR1B Activator +Desmopressin unknown 553 AVPR1B other +Vasopressin agonist|regulator 554 AVPR2 Activator +Terlipressin agonist 554 AVPR2 Activator +Desmopressin agonist 554 AVPR2 Activator +Lypressin unknown 554 AVPR2 other +Tolvaptan antagonist 554 AVPR2 Inhibitor +Conivaptan antagonist 554 AVPR2 Inhibitor +Gilteritinib inhibitor 558 AXL Inhibitor +Edrophonium inhibitor 590 BCHE Inhibitor +Hexafluronium inhibitor 590 BCHE Inhibitor +Echothiophate inhibitor 590 BCHE Inhibitor +Ketamine inhibitor 590 BCHE Inhibitor +Dipivefrin substrate 590 BCHE Activator +Pyridostigmine inhibitor 590 BCHE Inhibitor +Malathion inhibitor 590 BCHE Inhibitor +Pralidoxime activator 590 BCHE Activator +Rivastigmine inhibitor 590 BCHE Inhibitor +Encorafenib inhibitor 595 CCND1 Inhibitor +Arsenic trioxide antagonist 595 CCND1 Inhibitor +Paclitaxel inhibitor 596 BCL2 Inhibitor +Rasagiline activator 596 BCL2 Activator +Venetoclax antagonist|inhibitor 596 BCL2 Activator +Idecabtagene vicleucel binder 608 TNFRSF17 Ligand +Ciltacabtagene autoleucel binder 608 TNFRSF17 Ligand +Teclistamab antibody 608 TNFRSF17 Modulator +Imatinib inhibitor 613 BCR Inhibitor +Ponatinib inhibitor 613 BCR Inhibitor +Bosutinib inhibitor 613 BCR Inhibitor +Icatibant antagonist 624 BDKRB2 Inhibitor +Gallium nitrate antagonist 632 BGLAP Inhibitor +Betaine substrate 635 BHMT Activator +Riboflavin product of 645 BLVRB other +Dibotermin alfa ligand 657 BMPR1A Ligand +Dibotermin alfa ligand 659 BMPR2 Ligand +Regorafenib inhibitor 673 BRAF Inhibitor +Ripretinib inhibitor 673 BRAF Inhibitor +Sorafenib inhibitor 673 BRAF Inhibitor +Dabrafenib inhibitor 673 BRAF Inhibitor +Vemurafenib inhibitor 673 BRAF Inhibitor +Encorafenib inhibitor 673 BRAF Inhibitor +Nicotinamide product of 683 BST1 other +Zanubrutinib inhibitor 695 BTK Inhibitor +Ibrutinib inhibitor 695 BTK Inhibitor +Acalabrutinib inhibitor 695 BTK Inhibitor +Human C1-esterase inhibitor inhibitor 715 C1R Inhibitor +Conestat alfa inhibitor 715 C1R Inhibitor +Human C1-esterase inhibitor inhibitor 716 C1S Inhibitor +Sutimlimab inhibitor|antibody 716 C1S Inhibitor +Conestat alfa inhibitor 716 C1S Inhibitor +Pegcetacoplan binder|regulator 718 C3 Inhibitor +Human immunoglobulin G binder 718 C3 Ligand +Human immunoglobulin G binder 720 C4A Ligand +Human immunoglobulin G binder 721 C4B Ligand +Human immunoglobulin G binder 721 C4B Ligand +Eculizumab antibody 727 C5 Modulator +Human immunoglobulin G binder 727 C5 Ligand +Ravulizumab inhibitor 727 C5 Inhibitor +Avacopan antagonist 728 C5AR1 Inhibitor +Diclofenamide inhibitor 759 CA1 Inhibitor +Acetazolamide inhibitor 759 CA1 Inhibitor +Chlorothiazide inhibitor 759 CA1 Inhibitor +Dorzolamide inhibitor 759 CA1 Inhibitor +Methazolamide inhibitor 759 CA1 Inhibitor +Chlorthalidone inhibitor 759 CA1 Inhibitor +Diazoxide inhibitor 759 CA1 Inhibitor +Sodium sulfate inhibitor 759 CA1 Inhibitor +Quinethazone inhibitor 759 CA1 Inhibitor +Methazolamide inhibitor 760 CA2 Inhibitor +Sodium sulfate inhibitor 760 CA2 Inhibitor +Quinethazone inhibitor 760 CA2 Inhibitor +Diazoxide inhibitor 760 CA2 Inhibitor +Topiramate inhibitor 760 CA2 Inhibitor +Acetazolamide inhibitor 760 CA2 Inhibitor +Dorzolamide inhibitor 760 CA2 Inhibitor +Chlorothiazide inhibitor 760 CA2 Inhibitor +Diclofenamide inhibitor 760 CA2 Inhibitor +Brinzolamide inhibitor 760 CA2 Inhibitor +Acetazolamide inhibitor 761 CA3 Inhibitor +Diclofenamide inhibitor 762 CA4 Inhibitor +Methazolamide inhibitor 762 CA4 Inhibitor +Dorzolamide inhibitor 762 CA4 Inhibitor +Acetazolamide inhibitor 762 CA4 Inhibitor +Topiramate inhibitor 762 CA4 Inhibitor +Diclofenamide inhibitor 766 CA7 Inhibitor +Methazolamide inhibitor 766 CA7 Inhibitor +Acetazolamide inhibitor 766 CA7 Inhibitor +Acetazolamide inhibitor 771 CA12 Inhibitor +Levetiracetam inhibitor 774 CACNA1B Inhibitor +Ziconotide inhibitor 774 CACNA1B Inhibitor +Nicardipine inhibitor 775 CACNA1C Inhibitor +Isradipine inhibitor 775 CACNA1C Inhibitor +Nilvadipine inhibitor 775 CACNA1C Inhibitor +Verapamil inhibitor 775 CACNA1C Inhibitor +Cinnarizine inhibitor 775 CACNA1C Inhibitor +Felodipine inhibitor 775 CACNA1C Inhibitor +Amlodipine inhibitor 775 CACNA1C Inhibitor +Dronedarone inhibitor 775 CACNA1C Inhibitor +Diltiazem blocker 775 CACNA1C Inhibitor +Propiverine antagonist 775 CACNA1C Inhibitor +Nifedipine inhibitor 775 CACNA1C Inhibitor +Nitrendipine inhibitor 775 CACNA1C Inhibitor +Nimodipine inhibitor 775 CACNA1C Inhibitor +Nisoldipine inhibitor 775 CACNA1C Inhibitor +Ibutilide activator 775 CACNA1C Activator +Dronedarone inhibitor 776 CACNA1D Inhibitor +Nifedipine inhibitor 776 CACNA1D Inhibitor +Felodipine inhibitor 776 CACNA1D Inhibitor +Nimodipine inhibitor 776 CACNA1D Inhibitor +Cinnarizine inhibitor 776 CACNA1D Inhibitor +Nitrendipine inhibitor 776 CACNA1D Inhibitor +Isradipine inhibitor 776 CACNA1D Inhibitor +Nisoldipine inhibitor 776 CACNA1D Inhibitor +Nicardipine inhibitor 776 CACNA1D Inhibitor +Lamotrigine inhibitor 777 CACNA1E Inhibitor +Dronedarone inhibitor 778 CACNA1F Inhibitor +Cinnarizine inhibitor 778 CACNA1F Inhibitor +Nimodipine inhibitor 778 CACNA1F Inhibitor +Isradipine inhibitor 779 CACNA1S Inhibitor +Nimodipine inhibitor 779 CACNA1S Inhibitor +Cinnarizine inhibitor 779 CACNA1S Inhibitor +Felodipine inhibitor 779 CACNA1S Inhibitor +Nitrendipine inhibitor 779 CACNA1S Inhibitor +Nisoldipine inhibitor 779 CACNA1S Inhibitor +Pinaverium antagonist|inhibitor 779 CACNA1S Activator +Dronedarone inhibitor 779 CACNA1S Inhibitor +Nicardipine inhibitor 781 CACNA2D1 Inhibitor +Pregabalin unknown 781 CACNA2D1 other +Isradipine inhibitor 781 CACNA2D1 Inhibitor +Nilvadipine inhibitor 781 CACNA2D1 Inhibitor +Felodipine inhibitor 781 CACNA2D1 Inhibitor +Gabapentin inhibitor 781 CACNA2D1 Inhibitor +Nitrendipine inhibitor 781 CACNA2D1 Inhibitor +Nisoldipine inhibitor 781 CACNA2D1 Inhibitor +Nimodipine inhibitor 782 CACNB1 Inhibitor +Dronedarone inhibitor 782 CACNB1 Inhibitor +Ibutilide activator 782 CACNB1 Activator +Nifedipine inhibitor 783 CACNB2 Inhibitor +Nimodipine inhibitor 783 CACNB2 Inhibitor +Nilvadipine inhibitor 783 CACNB2 Inhibitor +Nisoldipine inhibitor 783 CACNB2 Inhibitor +Dronedarone inhibitor 783 CACNB2 Inhibitor +Felodipine inhibitor 783 CACNB2 Inhibitor +Isradipine inhibitor 783 CACNB2 Inhibitor +Nicardipine inhibitor 783 CACNB2 Inhibitor +Nitrendipine inhibitor 783 CACNB2 Inhibitor +Nimodipine inhibitor 784 CACNB3 Inhibitor +Dronedarone inhibitor 784 CACNB3 Inhibitor +Dronedarone inhibitor 785 CACNB4 Inhibitor +Nimodipine inhibitor 785 CACNB4 Inhibitor +Lercanidipine inhibitor 786 CACNG1 Inhibitor +Diltiazem blocker 786 CACNG1 Inhibitor +Eptinezumab binder|antibody 796 CALCA Inhibitor +Galcanezumab antibody 796 CALCA Modulator +Fremanezumab binder|antibody 796 CALCA Inhibitor +Fremanezumab binder|antibody 797 CALCB Inhibitor +Galcanezumab antibody 797 CALCB Modulator +Eptinezumab binder|antibody 797 CALCB Inhibitor +Pramlintide agonist 799 CALCR Activator +Flunarizine antagonist 801 CALM1 Inhibitor +Flunarizine antagonist 805 CALM2 Inhibitor +Voclosporin binder 819 CAMLG Ligand +Cyclosporine binder 819 CAMLG Ligand +Glycyrrhizic acid antagonist 836 CASP3 Inhibitor +Calcium Phosphate agonist 846 CASR Activator +Calcium citrate agonist 846 CASR Activator +Cinacalcet agonist 846 CASR Activator +Calcium phosphate dihydrate unknown 846 CASR other +Etelcalcetide agonist 846 CASR Activator +Fomepizole inhibitor 847 CAT Inhibitor +Ceruletide inducer 886 CCKAR Activator +Pentagastrin agonist 887 CCKBR Activator +Muromonab unknown 915 CD3D other +Blinatumomab antibody|activator 915 CD3D Activator +Mosunetuzumab binder 916 CD3E Ligand +Muromonab binder 916 CD3E Ligand +Teplizumab antibody 916 CD3E Modulator +Muromonab unknown 917 CD3G other +Muromonab unknown 919 CD247 other +Antithymocyte immunoglobulin (rabbit) unknown 920 CD4 other +Tisagenlecleucel antibody 930 CD19 Modulator +Axicabtagene ciloleucel antibody 930 CD19 Modulator +Inebilizumab binder 930 CD19 Ligand +Brexucabtagene autoleucel binder 930 CD19 Ligand +Blinatumomab antibody|activator|regulator 930 CD19 Activator +Tositumomab antibody 931 MS4A1 Modulator +Ibritumomab tiuxetan antibody|regulator 931 MS4A1 Inhibitor +Ublituximab binder|antibody 931 MS4A1 Inhibitor +Ofatumumab antibody|regulator 931 MS4A1 Inhibitor +Obinutuzumab antibody|regulator 931 MS4A1 Inhibitor +Ocrelizumab antagonist|antibody 931 MS4A1 Activator +Mosunetuzumab binder 931 MS4A1 Ligand +Rituximab antibody|regulator 931 MS4A1 Inhibitor +Inotuzumab ozogamicin antibody|regulator 933 CD22 Inhibitor +Moxetumomab pasudotox binder|antibody|regulator 933 CD22 Inhibitor +Belatacept antagonist 941 CD80 Inhibitor +Abatacept antagonist 941 CD80 Inhibitor +Antithymocyte immunoglobulin (rabbit) binder 942 CD86 Ligand +Belatacept antagonist 942 CD86 Inhibitor +Abatacept antagonist 942 CD86 Inhibitor +Brentuximab vedotin binder|antibody|regulator 943 TNFRSF8 Inhibitor +Gemtuzumab ozogamicin antibody|regulator 945 CD33 Inhibitor +Hyaluronic acid binder 960 CD44 Ligand +Polatuzumab vedotin antibody 974 CD79B Modulator +Cedazuridine inhibitor 978 CDA Inhibitor +Ribociclib antagonist|inhibitor 1019 CDK4 Activator +Palbociclib inhibitor 1019 CDK4 Inhibitor +Abemaciclib inhibitor 1019 CDK4 Inhibitor +Trilaciclib inhibitor 1019 CDK4 Inhibitor +Trilaciclib inhibitor 1021 CDK6 Inhibitor +Palbociclib inhibitor 1021 CDK6 Inhibitor +Ribociclib antagonist|inhibitor 1021 CDK6 Activator +Abemaciclib inhibitor 1021 CDK6 Inhibitor +Alemtuzumab antibody 1043 CD52 Modulator +Lumacaftor modulator 1080 CFTR Inhibitor +Tezacaftor activator 1080 CFTR Activator +Ivacaftor potentiator 1080 CFTR Activator +Elexacaftor modulator 1080 CFTR Inhibitor +Crofelemer antagonist 1080 CFTR Inhibitor +Biperiden antagonist 1128 CHRM1 Inhibitor +Methscopolamine bromide antagonist 1128 CHRM1 Inhibitor +Flavoxate antagonist 1128 CHRM1 Inhibitor +Pirenzepine antagonist 1128 CHRM1 Inhibitor +Dicyclomine antagonist 1128 CHRM1 Inhibitor +Homatropine antagonist 1128 CHRM1 Inhibitor +Benzatropine antagonist 1128 CHRM1 Inhibitor +Anisotropine methylbromide antagonist 1128 CHRM1 Inhibitor +Glycopyrronium antagonist 1128 CHRM1 Inhibitor +Buclizine antagonist 1128 CHRM1 Inhibitor +Scopolamine antagonist 1128 CHRM1 Inhibitor +Procyclidine antagonist 1128 CHRM1 Inhibitor +Tropicamide antagonist 1128 CHRM1 Inhibitor +Clidinium antagonist 1128 CHRM1 Inhibitor +Triflupromazine antagonist 1128 CHRM1 Inhibitor +Homatropine methylbromide antagonist 1128 CHRM1 Inhibitor +Hyoscyamine antagonist 1128 CHRM1 Inhibitor +Aclidinium antagonist 1128 CHRM1 Inhibitor +Mepenzolate antagonist 1128 CHRM1 Inhibitor +Tolterodine antagonist 1128 CHRM1 Inhibitor +Oxyphencyclimine antagonist 1128 CHRM1 Inhibitor +Cyclopentolate antagonist 1128 CHRM1 Inhibitor +Propantheline antagonist 1128 CHRM1 Inhibitor +Metoclopramide agonist 1128 CHRM1 Activator +Profenamine antagonist 1128 CHRM1 Inhibitor +Trihexyphenidyl antagonist 1128 CHRM1 Inhibitor +Propiverine antagonist 1128 CHRM1 Inhibitor +Oxybutynin antagonist 1128 CHRM1 Inhibitor +Atropine antagonist 1128 CHRM1 Inhibitor +Carbamoylcholine agonist 1128 CHRM1 Activator +Cycrimine antagonist 1128 CHRM1 Inhibitor +Cevimeline agonist 1128 CHRM1 Activator +Trimebutine antagonist 1128 CHRM1 Inhibitor +Dosulepin antagonist 1128 CHRM1 Inhibitor +Ipratropium antagonist 1128 CHRM1 Inhibitor +Pilocarpine agonist 1128 CHRM1 Activator +Oxyphenonium antagonist 1128 CHRM1 Inhibitor +Dimetindene antagonist 1129 CHRM2 Inhibitor +Homatropine methylbromide antagonist 1129 CHRM2 Inhibitor +Hyoscyamine antagonist 1129 CHRM2 Inhibitor +Oxybutynin antagonist 1129 CHRM2 Inhibitor +Procyclidine antagonist 1129 CHRM2 Inhibitor +Homatropine antagonist 1129 CHRM2 Inhibitor +Dosulepin antagonist 1129 CHRM2 Inhibitor +Glycopyrronium antagonist 1129 CHRM2 Inhibitor +Atropine antagonist 1129 CHRM2 Inhibitor +Triflupromazine antagonist 1129 CHRM2 Inhibitor +Flavoxate antagonist 1129 CHRM2 Inhibitor +Oxyphencyclimine antagonist 1129 CHRM2 Inhibitor +Tropicamide antagonist 1129 CHRM2 Inhibitor +Scopolamine antagonist 1129 CHRM2 Inhibitor +Propiverine antagonist 1129 CHRM2 Inhibitor +Pilocarpine agonist 1129 CHRM2 Activator +Carbamoylcholine agonist 1129 CHRM2 Activator +Aclidinium antagonist 1129 CHRM2 Inhibitor +Methscopolamine bromide antagonist 1129 CHRM2 Inhibitor +Cryptenamine antagonist 1129 CHRM2 Inhibitor +Rocuronium antagonist 1129 CHRM2 Inhibitor +Trimebutine antagonist 1129 CHRM2 Inhibitor +Umeclidinium antagonist 1129 CHRM2 Inhibitor +Gallamine triethiodide antagonist 1129 CHRM2 Inhibitor +Ipratropium antagonist 1129 CHRM2 Inhibitor +Tolterodine antagonist 1129 CHRM2 Inhibitor +Anisotropine methylbromide antagonist 1129 CHRM2 Inhibitor +Methacholine agonist 1129 CHRM2 Activator +Tiotropium antagonist 1131 CHRM3 Inhibitor +Bethanechol agonist 1131 CHRM3 Activator +Methacholine agonist 1131 CHRM3 Activator +Fesoterodine antagonist 1131 CHRM3 Inhibitor +Isopropamide antagonist 1131 CHRM3 Inhibitor +Aclidinium antagonist 1131 CHRM3 Inhibitor +Trimebutine antagonist 1131 CHRM3 Inhibitor +Hexocyclium antagonist 1131 CHRM3 Inhibitor +Oxybutynin antagonist 1131 CHRM3 Inhibitor +Tolterodine antagonist 1131 CHRM3 Inhibitor +Procyclidine antagonist 1131 CHRM3 Inhibitor +Darifenacin antagonist 1131 CHRM3 Inhibitor +Homatropine methylbromide antagonist 1131 CHRM3 Inhibitor +Solifenacin antagonist 1131 CHRM3 Inhibitor +Dosulepin antagonist 1131 CHRM3 Inhibitor +Ipratropium antagonist 1131 CHRM3 Inhibitor +Umeclidinium antagonist 1131 CHRM3 Inhibitor +Butylscopolamine antagonist 1131 CHRM3 Inhibitor +Atropine antagonist 1131 CHRM3 Inhibitor +Anisotropine methylbromide antagonist 1131 CHRM3 Inhibitor +Homatropine antagonist 1131 CHRM3 Inhibitor +Mepenzolate antagonist 1131 CHRM3 Inhibitor +Scopolamine antagonist 1131 CHRM3 Inhibitor +Glycopyrronium antagonist 1131 CHRM3 Inhibitor +Cevimeline agonist 1131 CHRM3 Activator +Propiverine antagonist 1131 CHRM3 Inhibitor +Oxyphencyclimine antagonist 1131 CHRM3 Inhibitor +Pilocarpine agonist 1131 CHRM3 Activator +Homatropine methylbromide antagonist 1132 CHRM4 Inhibitor +Scopolamine antagonist 1132 CHRM4 Inhibitor +Homatropine antagonist 1132 CHRM4 Inhibitor +Tropicamide antagonist 1132 CHRM4 Inhibitor +Atropine antagonist 1132 CHRM4 Inhibitor +Dosulepin antagonist 1132 CHRM4 Inhibitor +Glycopyrronium antagonist 1132 CHRM4 Inhibitor +Aclidinium antagonist 1132 CHRM4 Inhibitor +Trimebutine antagonist 1132 CHRM4 Inhibitor +Procyclidine antagonist 1132 CHRM4 Inhibitor +Tolterodine antagonist 1132 CHRM4 Inhibitor +Aclidinium antagonist 1133 CHRM5 Inhibitor +Dosulepin antagonist 1133 CHRM5 Inhibitor +Scopolamine antagonist 1133 CHRM5 Inhibitor +Atropine antagonist 1133 CHRM5 Inhibitor +Homatropine methylbromide antagonist 1133 CHRM5 Inhibitor +Tolterodine antagonist 1133 CHRM5 Inhibitor +Homatropine antagonist 1133 CHRM5 Inhibitor +Propiverine unknown 1133 CHRM5 other +Pipecuronium antagonist 1135 CHRNA2 Inhibitor +Metocurine antagonist 1135 CHRNA2 Inhibitor +Tubocurarine antagonist 1135 CHRNA2 Inhibitor +Rocuronium antagonist 1135 CHRNA2 Inhibitor +Carbamoylcholine agonist 1135 CHRNA2 Activator +Pancuronium antagonist 1135 CHRNA2 Inhibitor +Atracurium besylate antagonist 1135 CHRNA2 Inhibitor +Doxacurium antagonist 1135 CHRNA2 Inhibitor +Vecuronium antagonist 1135 CHRNA2 Inhibitor +Decamethonium partial agonist 1135 CHRNA2 Modulator +Mivacurium antagonist 1135 CHRNA2 Inhibitor +Mecamylamine antagonist 1135 CHRNA2 Inhibitor +Pentolinium antagonist 1136 CHRNA3 Inhibitor +Varenicline partial agonist 1137 CHRNA4 Modulator +Nicotine agonist 1137 CHRNA4 Activator +Methadone agonist 1139 CHRNA7 Activator +Galantamine allosteric modulator 1139 CHRNA7 Modulator +Nicotine agonist 1139 CHRNA7 Activator +Nicotine agonist 1141 CHRNB2 Activator +Pentolinium antagonist 1143 CHRNB4 Inhibitor +Creatine ligand 1152 CKB Ligand +Creatine ligand 1158 CKM Ligand +Creatine ligand 1159 CKMT1B Ligand +Creatine ligand 1160 CKMT2 Ligand +Lubiprostone inducer 1181 CLCN2 Activator +Mogamulizumab antagonist 1233 CCR4 Inhibitor +Maraviroc antagonist|inhibitor 1234 CCR5 Activator +Sulfinpyrazone inhibitor 1244 ABCC2 Inhibitor +Cannabidiol antagonist|modulator 1268 CNR1 Activator +Dronabinol agonist 1268 CNR1 Activator +Rimonabant antagonist 1268 CNR1 Inhibitor +Nabilone partial agonist 1268 CNR1 Modulator +Dronabinol agonist 1269 CNR2 Activator +Nabilone partial agonist 1269 CNR2 Modulator +Vonicog alfa binder 1277 COL1A1 Ligand +Von Willebrand factor human binder 1277 COL1A1 Ligand +Collagenase clostridium histolyticum binder 1277 COL1A1 Ligand +Collagenase clostridium histolyticum binder 1280 COL2A1 Ligand +Collagenase clostridium histolyticum binder 1281 COL3A1 Ligand +Opicapone inhibitor 1312 COMT Inhibitor +Entacapone inhibitor 1312 COMT Inhibitor +Prothrombin agonist 1361 CPB2 Activator +Carglumic acid allosteric modulator 1373 CPS1 Modulator +Perhexiline inhibitor 1374 CPT1A Inhibitor +Perhexiline inhibitor 1376 CPT2 Inhibitor +Pexidartinib inhibitor 1436 CSF1R Inhibitor +Sunitinib inhibitor 1436 CSF1R Inhibitor +Sargramostim agonist 1438 CSF2RA Activator +Foreskin keratinocyte (neonatal) agonist 1438 CSF2RA Activator +Sargramostim agonist 1439 CSF2RB Activator +Lenograstim agonist 1441 CSF3R Activator +Eflapegrastim ligand 1441 CSF3R Ligand +Filgrastim stimulator 1441 CSF3R Activator +Pegfilgrastim agonist 1441 CSF3R Activator +Lipegfilgrastim agonist 1441 CSF3R Activator +Ipilimumab inhibitor|antibody 1493 CTLA4 Inhibitor +Tremelimumab inhibitor|antibody 1493 CTLA4 Inhibitor +Cobicistat substrate|inhibitor 1576 CYP3A4 Activator +Aminoglutethimide inhibitor 1583 CYP11A1 Inhibitor +Levoketoconazole inhibitor 1583 CYP11A1 Inhibitor +Osilodrostat inhibitor 1584 CYP11B1 Inhibitor +Levoketoconazole inhibitor 1584 CYP11B1 Inhibitor +Mitotane inducer 1584 CYP11B1 Activator +Metyrapone inhibitor 1584 CYP11B1 Inhibitor +Levoketoconazole inhibitor 1585 CYP11B2 Inhibitor +Levoketoconazole inhibitor 1586 CYP17A1 Inhibitor +Abiraterone inhibitor 1586 CYP17A1 Inhibitor +Ketoconazole inhibitor 1586 CYP17A1 Inhibitor +Exemestane inhibitor 1588 CYP19A1 Inhibitor +Aminoglutethimide inhibitor 1588 CYP19A1 Inhibitor +Testolactone inhibitor 1588 CYP19A1 Inhibitor +Letrozole antagonist 1588 CYP19A1 Inhibitor +Anastrozole inhibitor 1588 CYP19A1 Inhibitor +Itraconazole inhibitor 1595 CYP51A1 Inhibitor +Dopamine ligand 1621 DBH Ligand +Disulfiram inhibitor 1621 DBH Inhibitor +Fludarabine agonist 1633 DCK Activator +Perindopril inhibitor 1636 ACE Inhibitor +Enalaprilat inhibitor 1636 ACE Inhibitor +Lisinopril inhibitor 1636 ACE Inhibitor +Quinapril inhibitor 1636 ACE Inhibitor +Zofenopril inhibitor 1636 ACE Inhibitor +Benazepril inhibitor 1636 ACE Inhibitor +Fosinopril inhibitor 1636 ACE Inhibitor +Spirapril inhibitor 1636 ACE Inhibitor +Rescinnamine inhibitor 1636 ACE Inhibitor +Moexipril inhibitor 1636 ACE Inhibitor +Trandolapril inhibitor 1636 ACE Inhibitor +Ramipril inhibitor 1636 ACE Inhibitor +Cilazapril inhibitor 1636 ACE Inhibitor +Enalapril inhibitor 1636 ACE Inhibitor +Captopril inhibitor 1636 ACE Inhibitor +Carbidopa inhibitor 1644 DDC Inhibitor +Methyldopa inhibitor 1644 DDC Inhibitor +Benserazide inhibitor 1644 DDC Inhibitor +Ursodeoxycholic acid inducer 1646 AKR1C2 Activator +Pralatrexate substrate|inhibitor 1719 DHFR Activator +Proguanil inhibitor 1719 DHFR Inhibitor +Pemetrexed inhibitor 1719 DHFR Inhibitor +Pyrimethamine inhibitor 1719 DHFR Inhibitor +Trimetrexate inhibitor 1719 DHFR Inhibitor +Methotrexate inhibitor 1719 DHFR Inhibitor +Leflunomide inhibitor 1723 DHODH Inhibitor +Golodirsen inducer 1756 DMD Activator +Azacitidine inhibitor 1786 DNMT1 Inhibitor +Decitabine inhibitor 1786 DNMT1 Inhibitor +Cilastatin inhibitor 1800 DPEP1 Inhibitor +Sitagliptin inhibitor 1803 DPP4 Inhibitor +Saxagliptin inhibitor 1803 DPP4 Inhibitor +Alogliptin inhibitor 1803 DPP4 Inhibitor +Linagliptin inhibitor 1803 DPP4 Inhibitor +Vildagliptin inhibitor 1803 DPP4 Inhibitor +Tegafur-uracil antagonist 1806 DPYD Inhibitor +Fenoldopam agonist 1812 DRD1 Activator +Perphenazine antagonist 1812 DRD1 Inhibitor +Pipotiazine antagonist 1812 DRD1 Inhibitor +Chlorpromazine antagonist 1812 DRD1 Inhibitor +Levodopa agonist 1812 DRD1 Activator +Dopamine agonist 1812 DRD1 Activator +Methylergometrine antagonist 1812 DRD1 Inhibitor +Fluphenazine antagonist 1812 DRD1 Inhibitor +Thiothixene antagonist 1812 DRD1 Inhibitor +Triflupromazine antagonist 1812 DRD1 Inhibitor +Zuclopenthixol antagonist 1812 DRD1 Inhibitor +Periciazine antagonist 1812 DRD1 Inhibitor +Lisuride agonist 1813 DRD2 Activator +Aripiprazole antagonist|partial agonist 1813 DRD2 Activator +Trifluoperazine antagonist 1813 DRD2 Inhibitor +Quetiapine antagonist 1813 DRD2 Inhibitor +Pipotiazine antagonist 1813 DRD2 Inhibitor +Amantadine agonist 1813 DRD2 Activator +Iloperidone antagonist 1813 DRD2 Inhibitor +Ropinirole agonist 1813 DRD2 Activator +Buspirone antagonist 1813 DRD2 Inhibitor +Risperidone antagonist 1813 DRD2 Inhibitor +Asenapine antagonist 1813 DRD2 Inhibitor +Methotrimeprazine antagonist 1813 DRD2 Inhibitor +Fluspirilene antagonist 1813 DRD2 Inhibitor +Metoclopramide antagonist 1813 DRD2 Inhibitor +Levodopa agonist 1813 DRD2 Activator +Cabergoline agonist 1813 DRD2 Activator +Mesoridazine antagonist 1813 DRD2 Inhibitor +Promazine antagonist 1813 DRD2 Inhibitor +Dopamine agonist 1813 DRD2 Activator +Brexpiprazole agonist|partial agonist 1813 DRD2 Activator +Pramipexole agonist 1813 DRD2 Activator +Pimozide antagonist 1813 DRD2 Inhibitor +Dihydro-alpha-ergocryptine agonist 1813 DRD2 Activator +Sulpiride antagonist 1813 DRD2 Inhibitor +Apomorphine agonist 1813 DRD2 Activator +Lumateperone partial agonist 1813 DRD2 Modulator +Fluphenazine antagonist 1813 DRD2 Inhibitor +Aripiprazole lauroxil partial agonist 1813 DRD2 Modulator +Rotigotine agonist 1813 DRD2 Activator +Loxapine antagonist 1813 DRD2 Inhibitor +Zuclopenthixol antagonist 1813 DRD2 Inhibitor +Prochlorperazine antagonist 1813 DRD2 Inhibitor +Triflupromazine antagonist 1813 DRD2 Inhibitor +Haloperidol antagonist 1813 DRD2 Inhibitor +Clozapine antagonist 1813 DRD2 Inhibitor +Lurasidone antagonist 1813 DRD2 Inhibitor +Domperidone antagonist 1813 DRD2 Inhibitor +Amisulpride antagonist 1813 DRD2 Inhibitor +Paliperidone antagonist 1813 DRD2 Inhibitor +Acetophenazine antagonist 1813 DRD2 Inhibitor +Ziprasidone antagonist 1813 DRD2 Inhibitor +Molindone antagonist 1813 DRD2 Inhibitor +Thiothixene antagonist 1813 DRD2 Inhibitor +Perphenazine antagonist 1813 DRD2 Inhibitor +Droperidol antagonist 1813 DRD2 Inhibitor +Chlorpromazine antagonist 1813 DRD2 Inhibitor +Olanzapine antagonist 1813 DRD2 Inhibitor +Levodopa agonist 1814 DRD3 Activator +Pimozide antagonist 1814 DRD3 Inhibitor +Dopamine agonist 1814 DRD3 Activator +Apomorphine agonist 1814 DRD3 Activator +Amisulpride antagonist 1814 DRD3 Inhibitor +Ropinirole agonist 1814 DRD3 Activator +Lisuride agonist 1814 DRD3 Activator +Rotigotine agonist 1814 DRD3 Activator +Domperidone antagonist 1814 DRD3 Inhibitor +Pramipexole agonist 1814 DRD3 Activator +Paliperidone antagonist 1814 DRD3 Inhibitor +Dihydro-alpha-ergocryptine partial agonist 1814 DRD3 Modulator +Pramipexole agonist 1815 DRD4 Activator +Paliperidone antagonist 1815 DRD4 Inhibitor +Levodopa agonist 1815 DRD4 Activator +Lisuride agonist 1815 DRD4 Activator +Dopamine agonist 1815 DRD4 Activator +Apomorphine agonist 1815 DRD4 Activator +Rotigotine agonist 1815 DRD4 Activator +Flibanserin antagonist|agonist 1815 DRD4 Modulator +Zuclopenthixol antagonist 1816 DRD5 Inhibitor +Fenoldopam agonist 1816 DRD5 Activator +Levodopa agonist 1816 DRD5 Activator +Dopamine agonist 1816 DRD5 Activator +Tipiracil inhibitor 1890 TYMP Inhibitor +Omega-3-carboxylic acids potentiator 1892 ECHS1 Activator +Ponesimod agonist|modulator|regulator 1901 S1PR1 Activator +Ozanimod agonist 1901 S1PR1 Activator +Fingolimod modulator 1901 S1PR1 Inhibitor +Fingolimod modulator 1903 S1PR3 Inhibitor +Bosentan antagonist 1909 EDNRA Inhibitor +Macitentan antagonist 1909 EDNRA Inhibitor +Ambrisentan antagonist 1909 EDNRA Inhibitor +Bosentan antagonist 1910 EDNRB Inhibitor +Moxetumomab pasudotox inactivator 1938 EEF2 Activator +Sucralfate inducer 1950 EGF Activator +Cetuximab binder 1956 EGFR Ligand +Brigatinib inhibitor 1956 EGFR Inhibitor +Neratinib inhibitor 1956 EGFR Inhibitor +Afatinib inhibitor 1956 EGFR Inhibitor +Mobocertinib inhibitor 1956 EGFR Inhibitor +Osimertinib inhibitor|regulator 1956 EGFR Inhibitor +Gefitinib antagonist 1956 EGFR Inhibitor +Erlotinib antagonist 1956 EGFR Inhibitor +Foreskin keratinocyte (neonatal) agonist 1956 EGFR Activator +Necitumumab antagonist 1956 EGFR Inhibitor +Panitumumab suppressor 1956 EGFR Inhibitor +Amivantamab antibody|downregulator 1956 EGFR Inhibitor +Lapatinib antagonist 1956 EGFR Inhibitor +Dacomitinib inhibitor 1956 EGFR Inhibitor +Regorafenib inhibitor 1969 EPHA2 Inhibitor +Dasatinib antagonist 1969 EPHA2 Inhibitor +Alpha-1-proteinase inhibitor inhibitor 1991 ELANE Inhibitor +Belzutifan inhibitor 2034 EPAS1 Inhibitor +Darbepoetin alfa agonist 2057 EPOR Activator +Methoxy polyethylene glycol-epoetin beta stimulator 2057 EPOR Activator +Peginesatide stimulator 2057 EPOR Activator +Erythropoietin agonist 2057 EPOR Activator +Pertuzumab binder|antibody 2064 ERBB2 Inhibitor +Margetuximab antagonist 2064 ERBB2 Inhibitor +Lapatinib antagonist 2064 ERBB2 Inhibitor +Trastuzumab binder|antibody 2064 ERBB2 Inhibitor +Trastuzumab emtansine antibody 2064 ERBB2 Modulator +Afatinib inhibitor 2064 ERBB2 Inhibitor +Tucatinib inhibitor 2064 ERBB2 Inhibitor +Afatinib inhibitor 2066 ERBB4 Inhibitor +Estradiol benzoate agonist 2099 ESR1 Activator +Raloxifene agonist 2099 ESR1 Activator +"Synthetic Conjugated Estrogens, A" ligand 2099 ESR1 Ligand +Desogestrel agonist 2099 ESR1 Activator +Fluoxymesterone antagonist 2099 ESR1 Inhibitor +Toremifene modulator 2099 ESR1 Inhibitor +Clomifene antagonist|agonist 2099 ESR1 Modulator +Conjugated estrogens agonist 2099 ESR1 Activator +Estradiol dienanthate agonist 2099 ESR1 Activator +Ethynodiol diacetate agonist 2099 ESR1 Activator +Quinestrol agonist|modulator 2099 ESR1 Activator +Bazedoxifene antagonist|agonist 2099 ESR1 Modulator +Fulvestrant antagonist 2099 ESR1 Inhibitor +Estradiol valerate agonist 2099 ESR1 Activator +Estradiol acetate agonist 2099 ESR1 Activator +Medroxyprogesterone acetate agonist 2099 ESR1 Activator +Estrone agonist 2099 ESR1 Activator +Lasofoxifene antagonist|agonist|negative modulator 2099 ESR1 Activator +Norgestimate agonist 2099 ESR1 Activator +Levonorgestrel unknown 2099 ESR1 other +Estrone sulfate agonist 2099 ESR1 Activator +Ospemifene antagonist|agonist 2099 ESR1 Modulator +"Synthetic Conjugated Estrogens, B" ligand 2099 ESR1 Ligand +Estramustine agonist 2099 ESR1 Activator +Danazol agonist 2099 ESR1 Activator +Dienestrol agonist 2099 ESR1 Activator +Tibolone antagonist|agonist 2099 ESR1 Modulator +Tamoxifen antagonist|agonist 2099 ESR1 Modulator +Ethinylestradiol agonist 2099 ESR1 Activator +Estradiol cypionate agonist 2099 ESR1 Activator +Estradiol agonist 2099 ESR1 Activator +Estriol agonist 2099 ESR1 Activator +Mestranol agonist 2099 ESR1 Activator +Polyestradiol phosphate agonist 2099 ESR1 Activator +Lasofoxifene agonist 2100 ESR2 Activator +Estradiol benzoate agonist 2100 ESR2 Activator +Estradiol agonist 2100 ESR2 Activator +Estradiol dienanthate agonist 2100 ESR2 Activator +Estradiol valerate agonist 2100 ESR2 Activator +Estramustine unknown 2100 ESR2 other +Conjugated estrogens agonist 2100 ESR2 Activator +Estradiol cypionate agonist 2100 ESR2 Activator +Estradiol acetate agonist 2100 ESR2 Activator +Raloxifene agonist 2100 ESR2 Activator +Tamoxifen antagonist|agonist 2100 ESR2 Modulator +Metformin inhibitor 2110 ETFDH Inhibitor +Tazemetostat inhibitor 2146 EZH2 Inhibitor +Anti-inhibitor coagulant complex agonist 2147 F2 Activator +Dabigatran etexilate inhibitor 2147 F2 Inhibitor +Turoctocog alfa binder 2147 F2 Ligand +Argatroban inhibitor 2147 F2 Inhibitor +Conestat alfa inhibitor 2147 F2 Inhibitor +Turoctocog alfa pegol binder 2147 F2 Ligand +Thrombomodulin Alfa inhibitor 2147 F2 Inhibitor +Antithrombin Alfa inhibitor 2147 F2 Inhibitor +Bivalirudin inhibitor 2147 F2 Inhibitor +Vorapaxar antagonist 2149 F2R Inhibitor +Tisotumab vedotin antibody 2152 F3 Modulator +Coagulation factor VII human activator 2152 F3 Activator +Protein C inactivator 2153 F5 Activator +Protein S human antagonist 2153 F5 Inhibitor +Thrombin alfa activator 2153 F5 Activator +Anti-inhibitor coagulant complex agonist 2153 F5 Activator +Human thrombin activator 2153 F5 Activator +Thrombin activator 2153 F5 Activator +Coagulation Factor IX Human ligand 2155 F7 Ligand +Anti-inhibitor coagulant complex agonist 2155 F7 Activator +Coagulation Factor IX (Recombinant) ligand 2155 F7 Ligand +Nonacog beta pegol cofactor 2155 F7 other +Nonacog beta pegol cofactor 2157 F8 other +Human thrombin activator 2157 F8 Activator +Protein C inactivator 2157 F8 Activator +Damoctocog alfa pegol binder 2157 F8 Ligand +Thrombin alfa activator 2157 F8 Activator +Vonicog alfa stabilization 2157 F8 other +Coagulation Factor IX (Recombinant) cofactor 2157 F8 other +Anti-inhibitor coagulant complex agonist 2157 F8 Activator +Von Willebrand factor human carrier|stabilization 2157 F8 other +Coagulation Factor IX Human cofactor 2157 F8 other +Thrombin activator 2157 F8 Activator +Emicizumab cofactor 2158 F9 other +Turoctocog alfa activator 2158 F9 Activator +Antihemophilic factor human activator 2158 F9 Activator +Coagulation factor VII human activator 2158 F9 Activator +Turoctocog alfa pegol activator 2158 F9 Activator +Lonoctocog alfa cofactor 2158 F9 other +"Antihemophilic factor, human recombinant" cofactor 2158 F9 other +Moroctocog alfa cofactor 2158 F9 other +Emicizumab activator 2159 F10 Activator +Nonacog beta pegol agonist 2159 F10 Activator +Edoxaban inhibitor 2159 F10 Inhibitor +Bemiparin antagonist 2159 F10 Inhibitor +Coagulation factor VII human activator 2159 F10 Activator +Turoctocog alfa pegol activator 2159 F10 Activator +Coagulation Factor IX (Recombinant) activator 2159 F10 Activator +Moroctocog alfa activator 2159 F10 Activator +Lonoctocog alfa activator 2159 F10 Activator +Antihemophilic factor human activator 2159 F10 Activator +Rivaroxaban antagonist 2159 F10 Inhibitor +Anti-inhibitor coagulant complex agonist 2159 F10 Activator +Antithrombin Alfa inhibitor 2159 F10 Inhibitor +Coagulation Factor IX Human activator 2159 F10 Activator +Heparin inhibitor 2159 F10 Inhibitor +Enoxaparin inhibitor 2159 F10 Inhibitor +Apixaban inhibitor 2159 F10 Inhibitor +"Antihemophilic factor, human recombinant" activator 2159 F10 Activator +Fondaparinux inhibitor 2159 F10 Inhibitor +Albutrepenonacog alfa activator 2159 F10 Activator +Turoctocog alfa activator 2159 F10 Activator +Betrixaban inhibitor 2159 F10 Inhibitor +Protein S human antagonist 2159 F10 Inhibitor +Human C1-esterase inhibitor inhibitor 2160 F11 Inhibitor +Human thrombin activator 2160 F11 Activator +Coagulation Factor IX Human ligand 2160 F11 Ligand +Thrombin activator 2160 F11 Activator +Conestat alfa inhibitor 2160 F11 Inhibitor +Coagulation Factor IX (Recombinant) ligand 2160 F11 Ligand +Human C1-esterase inhibitor inhibitor 2161 F12 Inhibitor +Conestat alfa inhibitor 2161 F12 Inhibitor +Thrombin activator 2162 F13A1 Activator +Anti-inhibitor coagulant complex agonist 2162 F13A1 Activator +Prothrombin agonist 2162 F13A1 Activator +Human thrombin activator 2162 F13A1 Activator +Thrombin activator 2165 F13B Activator +Human thrombin activator 2165 F13B Activator +Catridecacog unknown 2165 F13B other +Icosapent agonist 2173 FABP7 Activator +Benzylpenicilloyl polylysine agonist 2205 FCER1A Activator +Omalizumab inhibitor 2205 FCER1A Inhibitor +Omalizumab inhibitor 2206 MS4A2 Inhibitor +Benzylpenicilloyl polylysine agonist 2207 FCER1G Activator +Trastuzumab deruxtecan antibody 2209 FCGR1A Modulator +Human immunoglobulin G antagonist 2209 FCGR1A Inhibitor +Human immunoglobulin G antagonist 2212 FCGR2A Inhibitor +Antithymocyte immunoglobulin (rabbit) unknown 2213 FCGR2B other +Human immunoglobulin G antagonist 2213 FCGR2B Inhibitor +Amivantamab inducer 2214 FCGR3A Activator +Benralizumab binding 2214 FCGR3A Ligand +Human immunoglobulin G antagonist 2214 FCGR3A Inhibitor +Human immunoglobulin G antagonist 2215 FCGR3B Inhibitor +Efgartigimod alfa binder 2217 FCGRT Ligand +Zoledronic acid inhibitor 2224 FDPS Inhibitor +Ibandronate inhibitor 2224 FDPS Inhibitor +Pamidronic acid inhibitor 2224 FDPS Inhibitor +Alendronic acid inhibitor 2224 FDPS Inhibitor +Risedronic acid inhibitor 2224 FDPS Inhibitor +Alteplase binder 2243 FGA Ligand +Anti-inhibitor coagulant complex cleavage 2243 FGA Inhibitor +Prothrombin cleavage 2243 FGA Inhibitor +Thrombin activator 2243 FGA Activator +Human thrombin activator 2243 FGA Activator +Reteplase unknown 2243 FGA other +Thrombin alfa activator 2243 FGA Activator +Tenecteplase unknown 2243 FGA other +Anistreplase unknown 2243 FGA other +Prothrombin cleavage 2244 FGB Inhibitor +Human thrombin activator 2244 FGB Activator +Thrombin activator 2244 FGB Activator +Thrombin alfa activator 2244 FGB Activator +Anti-inhibitor coagulant complex cleavage 2244 FGB Inhibitor +Pentosan polysulfate antagonist 2246 FGF1 Inhibitor +Foreskin keratinocyte (neonatal) agonist 2246 FGF1 Activator +Sucralfate agonist|inducer 2247 FGF2 Activator +Pentosan polysulfate antagonist 2247 FGF2 Inhibitor +Pemigatinib inhibitor 2260 FGFR1 Inhibitor +Erdafitinib inhibitor 2260 FGFR1 Inhibitor +Lenvatinib inhibitor 2260 FGFR1 Inhibitor +Regorafenib inhibitor 2260 FGFR1 Inhibitor +Sorafenib inhibitor 2260 FGFR1 Inhibitor +Futibatinib inhibitor 2260 FGFR1 Inhibitor +Nintedanib inhibitor 2260 FGFR1 Inhibitor +Infigratinib inhibitor 2260 FGFR1 Inhibitor +Infigratinib inhibitor 2261 FGFR3 Inhibitor +Erdafitinib inhibitor 2261 FGFR3 Inhibitor +Lenvatinib inhibitor 2261 FGFR3 Inhibitor +Futibatinib inhibitor 2261 FGFR3 Inhibitor +Pemigatinib inhibitor 2261 FGFR3 Inhibitor +Nintedanib inhibitor 2261 FGFR3 Inhibitor +Infigratinib inhibitor 2263 FGFR2 Inhibitor +Regorafenib inhibitor 2263 FGFR2 Inhibitor +Futibatinib inhibitor 2263 FGFR2 Inhibitor +Nintedanib inhibitor 2263 FGFR2 Inhibitor +Lenvatinib inhibitor 2263 FGFR2 Inhibitor +Pemigatinib inhibitor 2263 FGFR2 Inhibitor +Erdafitinib inhibitor 2263 FGFR2 Inhibitor +Palifermin agonist|binder 2263 FGFR2 Activator +Lenvatinib inhibitor 2264 FGFR4 Inhibitor +Infigratinib inhibitor 2264 FGFR4 Inhibitor +Erdafitinib inhibitor 2264 FGFR4 Inhibitor +Futibatinib inhibitor 2264 FGFR4 Inhibitor +Alteplase binder 2266 FGG Ligand +Thrombin activator 2266 FGG Activator +Human thrombin activator 2266 FGG Activator +Thrombin alfa activator 2266 FGG Activator +Tacrolimus inhibitor 2280 FKBP1A Inhibitor +Sunitinib inhibitor 2321 FLT1 Inhibitor +Axitinib inhibitor 2321 FLT1 Inhibitor +Regorafenib inhibitor 2321 FLT1 Inhibitor +Pazopanib inhibitor 2321 FLT1 Inhibitor +Sorafenib inhibitor 2321 FLT1 Inhibitor +Nintedanib inhibitor 2321 FLT1 Inhibitor +Lenvatinib inhibitor 2321 FLT1 Inhibitor +Tivozanib inhibitor 2321 FLT1 Inhibitor +Foreskin fibroblast (neonatal) agonist 2321 FLT1 Activator +Sorafenib antagonist 2322 FLT3 Inhibitor +Midostaurin antagonist|inhibitor 2322 FLT3 Activator +Gilteritinib inhibitor 2322 FLT3 Inhibitor +Pacritinib inhibitor 2322 FLT3 Inhibitor +Sunitinib inhibitor 2322 FLT3 Inhibitor +Fedratinib inhibitor 2322 FLT3 Inhibitor +Lenvatinib inhibitor 2324 FLT4 Inhibitor +Sorafenib antagonist 2324 FLT4 Inhibitor +Axitinib inhibitor 2324 FLT4 Inhibitor +Tivozanib inhibitor 2324 FLT4 Inhibitor +Regorafenib inhibitor 2324 FLT4 Inhibitor +Pazopanib unknown 2324 FLT4 other +Nintedanib inhibitor 2324 FLT4 Inhibitor +Sunitinib inhibitor 2324 FLT4 Inhibitor +Ocriplasmin cleavage 2335 FN1 Inhibitor +Lonafarnib inhibitor 2339 FNTA Inhibitor +Lonafarnib inhibitor 2342 FNTB Inhibitor +Capromab pendetide unknown 2346 FOLH1 other +Piflufolastat F 18 binder 2346 FOLH1 Ligand +Mirvetuximab soravtansine binder 2348 FOLR1 Ligand +Pafolacianine ligand 2348 FOLR1 Ligand +Pralatrexate substrate 2356 FPGS Activator +Regorafenib inhibitor 2444 FRK Inhibitor +Sirolimus inhibitor 2475 MTOR Inhibitor +Temsirolimus inhibitor 2475 MTOR Inhibitor +Pimecrolimus potentiator 2475 MTOR Activator +Everolimus inhibitor 2475 MTOR Inhibitor +Corifollitropin alfa agonist 2492 FSHR Activator +Urofollitropin agonist 2492 FSHR Activator +Follitropin agonist 2492 FSHR Activator +Choriogonadotropin alfa binder 2492 FSHR Ligand +Menotropins binder 2492 FSHR Ligand +Iron Dextran other 2495 FTH1 other +Ferric pyrophosphate citrate binder 2495 FTH1 Ligand +Iron Dextran other 2512 FTL other +Sodium ferric gluconate complex binding 2512 FTL Ligand +Ferric pyrophosphate citrate binder 2512 FTL Ligand +Oxetacaine inhibition of synthesis 2520 GAST Inhibitor +Miglitol antagonist 2548 GAA Inhibitor +Taurine agonist 2550 GABBR1 Activator +Acamprosate inhibitor 2550 GABBR1 Inhibitor +Methohexital antagonist 2554 GABRA1 Inhibitor +Butalbital potentiator 2554 GABRA1 Activator +Meprobamate agonist 2554 GABRA1 Activator +Etomidate agonist 2554 GABRA1 Activator +Isoflurane agonist 2554 GABRA1 Activator +Secobarbital potentiator 2554 GABRA1 Activator +Zaleplon potentiator 2554 GABRA1 Activator +Ethanol agonist 2554 GABRA1 Activator +Primidone potentiator 2554 GABRA1 Activator +Pentobarbital potentiator 2554 GABRA1 Activator +Zolpidem agonist 2554 GABRA1 Activator +Butobarbital potentiator 2554 GABRA1 Activator +Talbutal potentiator 2554 GABRA1 Activator +Quinidine barbiturate potentiator 2554 GABRA1 Activator +Flumazenil antagonist 2554 GABRA1 Inhibitor +Methylphenobarbital potentiator 2554 GABRA1 Activator +Phenobarbital potentiator 2554 GABRA1 Activator +Thiamylal agonist 2554 GABRA1 Activator +Zopiclone potentiator 2554 GABRA1 Activator +Eszopiclone potentiator 2554 GABRA1 Activator +Glutethimide agonist 2554 GABRA1 Activator +Topiramate agonist 2554 GABRA1 Activator +Thiopental potentiator 2554 GABRA1 Activator +Amobarbital potentiator 2554 GABRA1 Activator +Methylphenobarbital potentiator 2555 GABRA2 Activator +Meprobamate agonist 2555 GABRA2 Activator +Butobarbital potentiator 2555 GABRA2 Activator +Thiopental potentiator 2555 GABRA2 Activator +Quinidine barbiturate potentiator 2555 GABRA2 Activator +Secobarbital potentiator 2555 GABRA2 Activator +Primidone potentiator 2555 GABRA2 Activator +Zopiclone potentiator 2555 GABRA2 Activator +Amobarbital potentiator 2555 GABRA2 Activator +Butalbital potentiator 2555 GABRA2 Activator +Talbutal potentiator 2555 GABRA2 Activator +Pentobarbital potentiator 2555 GABRA2 Activator +Thiopental potentiator 2556 GABRA3 Activator +Methylphenobarbital potentiator 2556 GABRA3 Activator +Secobarbital potentiator 2556 GABRA3 Activator +Butalbital potentiator 2556 GABRA3 Activator +Meprobamate agonist 2556 GABRA3 Activator +Butobarbital potentiator 2556 GABRA3 Activator +Amobarbital potentiator 2556 GABRA3 Activator +Pentobarbital potentiator 2556 GABRA3 Activator +Primidone potentiator 2556 GABRA3 Activator +Zopiclone potentiator 2556 GABRA3 Activator +Talbutal potentiator 2556 GABRA3 Activator +Butalbital potentiator 2557 GABRA4 Activator +Amobarbital potentiator 2557 GABRA4 Activator +Meprobamate agonist 2557 GABRA4 Activator +Methylphenobarbital potentiator 2557 GABRA4 Activator +Pentobarbital potentiator 2557 GABRA4 Activator +Secobarbital potentiator 2557 GABRA4 Activator +Primidone potentiator 2557 GABRA4 Activator +Butobarbital potentiator 2557 GABRA4 Activator +Thiopental potentiator 2557 GABRA4 Activator +Talbutal potentiator 2557 GABRA4 Activator +Flumazenil antagonist 2558 GABRA5 Inhibitor +Butalbital potentiator 2558 GABRA5 Activator +Secobarbital potentiator 2558 GABRA5 Activator +Meprobamate agonist 2558 GABRA5 Activator +Primidone potentiator 2558 GABRA5 Activator +Butobarbital potentiator 2558 GABRA5 Activator +Methylphenobarbital potentiator 2558 GABRA5 Activator +Pentobarbital potentiator 2558 GABRA5 Activator +Talbutal potentiator 2558 GABRA5 Activator +Thiopental potentiator 2558 GABRA5 Activator +Zopiclone potentiator 2558 GABRA5 Activator +Amobarbital potentiator 2558 GABRA5 Activator +Methylphenobarbital potentiator 2559 GABRA6 Activator +Butalbital potentiator 2559 GABRA6 Activator +Secobarbital potentiator 2559 GABRA6 Activator +Meprobamate agonist 2559 GABRA6 Activator +Amobarbital potentiator 2559 GABRA6 Activator +Butobarbital potentiator 2559 GABRA6 Activator +Pentobarbital potentiator 2559 GABRA6 Activator +Primidone potentiator 2559 GABRA6 Activator +Thiopental potentiator 2559 GABRA6 Activator +Talbutal potentiator 2559 GABRA6 Activator +gamma-Hydroxybutyric acid agonist 2560 GABRB1 Activator +Propofol potentiator 2561 GABRB2 Activator +Fospropofol potentiator 2561 GABRB2 Activator +Piperazine agonist 2562 GABRB3 Activator +Propofol potentiator 2562 GABRB3 Activator +Fospropofol potentiator 2562 GABRB3 Activator +Flumazenil antagonist 2566 GABRG2 Inhibitor +Creatine product of 2593 GAMT other +Miglitol antagonist 2595 GANC Inhibitor +Pemetrexed inhibitor 2618 GART Inhibitor +Glucagon agonist 2642 GCGR Activator +Dasiglucagon agonist 2642 GCGR Activator +Menadione cofactor 2677 GGCX other +Phylloquinone substrate|inducer|cofactor 2677 GGCX Activator +Anisindione inhibitor 2677 GGCX Inhibitor +Pegvisomant antagonist 2690 GHR Inhibitor +Lonapegsomatropin ligand 2690 GHR Ligand +Somatotropin ligand 2690 GHR Ligand +Tesamorelin binder 2692 GHRHR Ligand +Tirzepatide agonist 2695 GIP Activator +Tirzepatide agonist 2740 GLP1R Activator +Dulaglutide agonist 2740 GLP1R Activator +Albiglutide agonist 2740 GLP1R Activator +Liraglutide agonist 2740 GLP1R Activator +Semaglutide agonist 2740 GLP1R Activator +Lixisenatide agonist 2740 GLP1R Activator +Exenatide agonist 2740 GLP1R Activator +Ethanol agonist 2741 GLRA1 Activator +Desflurane agonist 2741 GLRA1 Activator +Isoflurane agonist 2741 GLRA1 Activator +Enflurane potentiator 2741 GLRA1 Activator +Sevoflurane agonist 2741 GLRA1 Activator +Taurine agonist 2742 GLRA2 Activator +Ethanol agonist 2742 GLRA2 Activator +Nafarelin agonist 2798 GNRHR Activator +Leuprolide agonist 2798 GNRHR Activator +Buserelin unknown 2798 GNRHR other +Cetrorelix antagonist 2798 GNRHR Inhibitor +Gonadorelin agonist 2798 GNRHR Activator +Relugolix antagonist 2798 GNRHR Inhibitor +Triptorelin agonist 2798 GNRHR Activator +Ganirelix antagonist 2798 GNRHR Inhibitor +Degarelix antagonist 2798 GNRHR Inhibitor +Goserelin agonist 2798 GNRHR Activator +Danazol negative modulator 2798 GNRHR Inhibitor +Linzagolix antagonist 2798 GNRHR Inhibitor +Icosapent agonist 2864 FFAR1 Activator +Sevoflurane antagonist 2890 GRIA1 Inhibitor +Isoflurane antagonist 2890 GRIA1 Inhibitor +Perampanel antagonist 2890 GRIA1 Inhibitor +Desflurane antagonist 2890 GRIA1 Inhibitor +Orphenadrine antagonist 2902 GRIN1 Inhibitor +Felbamate antagonist 2903 GRIN2A Inhibitor +Lumateperone unknown 2904 GRIN2B other +Taurine inhibitor 2904 GRIN2B Inhibitor +Felbamate antagonist 2904 GRIN2B Inhibitor +Orphenadrine antagonist 2906 GRIN2D Inhibitor +Prednicarbate agonist 2908 NR3C1 Activator +Flumethasone agonist 2908 NR3C1 Activator +Amcinonide agonist 2908 NR3C1 Activator +Mometasone furoate unknown 2908 NR3C1 other +Ciclesonide agonist 2908 NR3C1 Activator +Dexamethasone acetate agonist 2908 NR3C1 Activator +Ulobetasol agonist 2908 NR3C1 Activator +Hydrocortisone phosphate unknown 2908 NR3C1 other +Flunisolide agonist 2908 NR3C1 Activator +Prednisone agonist 2908 NR3C1 Activator +Betamethasone agonist 2908 NR3C1 Activator +Hydrocortisone valerate unknown 2908 NR3C1 other +Hydrocortisone agonist 2908 NR3C1 Activator +Clocortolone agonist 2908 NR3C1 Activator +Beclomethasone dipropionate agonist 2908 NR3C1 Activator +Hydrocortisone butyrate unknown 2908 NR3C1 other +Clobetasol propionate agonist 2908 NR3C1 Activator +Fluticasone propionate agonist 2908 NR3C1 Activator +Hydrocortamate agonist 2908 NR3C1 Activator +Desonide agonist 2908 NR3C1 Activator +Cortisone acetate agonist 2908 NR3C1 Activator +Fluocinolone acetonide agonist 2908 NR3C1 Activator +Desoximetasone agonist 2908 NR3C1 Activator +Clobetasone agonist 2908 NR3C1 Activator +Budesonide agonist 2908 NR3C1 Activator +Hydrocortisone acetate unknown 2908 NR3C1 other +Alclometasone agonist 2908 NR3C1 Activator +Fluorometholone agonist 2908 NR3C1 Activator +Diflorasone agonist 2908 NR3C1 Activator +Methylprednisolone agonist 2908 NR3C1 Activator +Loteprednol etabonate agonist 2908 NR3C1 Activator +Ulipristal antagonist 2908 NR3C1 Inhibitor +Medrysone agonist 2908 NR3C1 Activator +Fluticasone agonist 2908 NR3C1 Activator +Dexamethasone agonist 2908 NR3C1 Activator +Prednisolone agonist 2908 NR3C1 Activator +Mifepristone antagonist 2908 NR3C1 Inhibitor +Fluocinonide agonist 2908 NR3C1 Activator +Difluprednate agonist 2908 NR3C1 Activator +Hydrocortisone cypionate unknown 2908 NR3C1 other +Flurandrenolide agonist 2908 NR3C1 Activator +Rimexolone agonist 2908 NR3C1 Activator +Fluticasone furoate agonist 2908 NR3C1 Activator +Hydrocortisone probutate unknown 2908 NR3C1 other +Triamcinolone agonist 2908 NR3C1 Activator +Prednisolone acetate agonist 2908 NR3C1 Activator +Acamprosate antagonist 2915 GRM5 Inhibitor +Carmustine inhibitor 2936 GSR Inhibitor +Acetylcysteine stimulator 2937 GSS Activator +Isosorbide mononitrate activator 2977 GUCY1A2 Activator +Nitric Oxide inducer 2977 GUCY1A2 Activator +Riociguat agonist|stimulator 2977 GUCY1A2 Activator +Methylene blue inhibitor 2977 GUCY1A2 Inhibitor +Plecanatide agonist 2977 GUCY1A2 Activator +Vericiguat stimulator 2983 GUCY1B1 Activator +Linaclotide agonist 2984 GUCY2C Activator +Omega-3-carboxylic acids potentiator 3028 HSD17B10 Activator +Omega-3-carboxylic acids potentiator 3033 HADH Activator +Ferric pyrophosphate citrate binder 3039 HBA1 Ligand +Ferrous sulfate anhydrous binder 3039 HBA1 Ligand +Pentaerythritol tetranitrate agonist 3039 HBA1 Activator +Voxelotor binder 3039 HBA1 Ligand +Nitrous acid oxidizer 3039 HBA1 other +Iron Dextran activator 3039 HBA1 Activator +Ferric pyrophosphate citrate binder 3040 HBA2 Ligand +Ferrous sulfate anhydrous binder 3040 HBA2 Ligand +Pentaerythritol tetranitrate agonist 3040 HBA2 Activator +Voxelotor binder 3040 HBA2 Ligand +Nitrous acid oxidizer 3040 HBA2 other +Iron Dextran activator 3040 HBA2 Activator +Ferric pyrophosphate citrate binder 3043 HBB Ligand +Iron Dextran activator 3043 HBB Activator +Pentaerythritol tetranitrate agonist 3043 HBB Activator +Nitrous acid oxidizer 3043 HBB other +Sodium ferric gluconate complex binding 3043 HBB Ligand +Sulodexide agonist 3053 SERPIND1 Activator +Lemborexant antagonist 3061 HCRTR1 Inhibitor +Suvorexant antagonist 3061 HCRTR1 Inhibitor +Daridorexant antagonist 3061 HCRTR1 Inhibitor +Daridorexant antagonist 3062 HCRTR2 Inhibitor +Suvorexant antagonist 3062 HCRTR2 Inhibitor +Lemborexant antagonist 3062 HCRTR2 Inhibitor +Romidepsin antagonist|inhibitor 3065 HDAC1 Activator +Vorinostat inhibitor 3065 HDAC1 Inhibitor +Aminophylline activator 3066 HDAC2 Activator +Romidepsin antagonist|inhibitor 3066 HDAC2 Activator +Vorinostat inhibitor 3066 HDAC2 Inhibitor +Oxtriphylline activator 3066 HDAC2 Activator +Theophylline activator 3066 HDAC2 Activator +Antithymocyte immunoglobulin (rabbit) antagonist 3140 MR1 Inhibitor +Fluvastatin inhibitor 3156 HMGCR Inhibitor +Simvastatin inhibitor 3156 HMGCR Inhibitor +Lovastatin inhibitor 3156 HMGCR Inhibitor +Rosuvastatin inhibitor 3156 HMGCR Inhibitor +Atorvastatin inhibitor 3156 HMGCR Inhibitor +Pravastatin inhibitor 3156 HMGCR Inhibitor +Pitavastatin inhibitor 3156 HMGCR Inhibitor +Hyaluronic acid binder 3161 HMMR Ligand +Nitisinone inhibitor 3242 HPD Inhibitor +Mercaptopurine inhibitor 3251 HPRT1 Inhibitor +Azelastine antagonist 3269 HRH1 Inhibitor +Levocetirizine antagonist|inhibitor 3269 HRH1 Activator +Mepyramine antagonist 3269 HRH1 Inhibitor +Bilastine antagonist 3269 HRH1 Inhibitor +Betahistine agonist 3269 HRH1 Activator +Dimetindene antagonist 3269 HRH1 Inhibitor +Dosulepin antagonist 3269 HRH1 Inhibitor +Pheniramine inverse agonist 3269 HRH1 Modulator +Olopatadine antagonist 3269 HRH1 Inhibitor +Diphenylpyraline antagonist 3269 HRH1 Inhibitor +Ketotifen antagonist 3269 HRH1 Inhibitor +Doxylamine antagonist 3269 HRH1 Inhibitor +Cetirizine antagonist 3269 HRH1 Inhibitor +Histamine agonist 3269 HRH1 Activator +Diphenhydramine antagonist 3269 HRH1 Inhibitor +Phenindamine antagonist 3269 HRH1 Inhibitor +Alimemazine antagonist 3269 HRH1 Inhibitor +Dexbrompheniramine antagonist 3269 HRH1 Inhibitor +Cyclizine antagonist 3269 HRH1 Inhibitor +Fexofenadine antagonist 3269 HRH1 Inhibitor +Orphenadrine antagonist 3269 HRH1 Inhibitor +Chlorpromazine antagonist 3269 HRH1 Inhibitor +Epinastine antagonist 3269 HRH1 Inhibitor +Methdilazine antagonist 3269 HRH1 Inhibitor +Levocabastine antagonist 3269 HRH1 Inhibitor +Emedastine antagonist 3269 HRH1 Inhibitor +Cyproheptadine antagonist 3269 HRH1 Inhibitor +Chlorcyclizine antagonist 3269 HRH1 Inhibitor +Bromodiphenhydramine antagonist 3269 HRH1 Inhibitor +Dimenhydrinate antagonist 3269 HRH1 Inhibitor +Desloratadine antagonist 3269 HRH1 Inhibitor +Dexchlorpheniramine maleate antagonist 3269 HRH1 Inhibitor +Buclizine antagonist 3269 HRH1 Inhibitor +Promethazine antagonist 3269 HRH1 Inhibitor +Triprolidine antagonist 3269 HRH1 Inhibitor +Antazoline antagonist 3269 HRH1 Inhibitor +Brompheniramine antagonist 3269 HRH1 Inhibitor +Cinnarizine antagonist 3269 HRH1 Inhibitor +Propiomazine antagonist 3269 HRH1 Inhibitor +Repaglinide antagonist 3269 HRH1 Inhibitor +Bepotastine antagonist 3269 HRH1 Inhibitor +Carbinoxamine antagonist 3269 HRH1 Inhibitor +Chlorpheniramine antagonist 3269 HRH1 Inhibitor +Acrivastine antagonist 3269 HRH1 Inhibitor +Lorpiprazole antagonist 3269 HRH1 Inhibitor +Thonzylamine antagonist 3269 HRH1 Inhibitor +Azatadine antagonist 3269 HRH1 Inhibitor +Hydroxyzine inverse agonist 3269 HRH1 Modulator +Loratadine antagonist 3269 HRH1 Inhibitor +Rupatadine antagonist 3269 HRH1 Inhibitor +Tripelennamine antagonist 3269 HRH1 Inhibitor +Clemastine antagonist 3269 HRH1 Inhibitor +Doxepin antagonist 3269 HRH1 Inhibitor +Meclizine antagonist 3269 HRH1 Inhibitor +Methantheline antagonist 3274 HRH2 Inhibitor +Betazole agonist 3274 HRH2 Activator +Cimetidine antagonist 3274 HRH2 Inhibitor +Epinastine antagonist 3274 HRH2 Inhibitor +Histamine agonist 3274 HRH2 Activator +Doxepin antagonist 3274 HRH2 Inhibitor +Famotidine antagonist 3274 HRH2 Inhibitor +Nizatidine antagonist 3274 HRH2 Inhibitor +Glycyrrhizic acid antagonist 3290 HSD11B1 Inhibitor +Buspirone partial agonist 3350 HTR1A Modulator +Alverine antagonist 3350 HTR1A Inhibitor +Methysergide agonist 3350 HTR1A Activator +Trazodone antagonist|partial agonist 3350 HTR1A Activator +Naratriptan agonist 3350 HTR1A Activator +Flibanserin agonist 3350 HTR1A Activator +Sumatriptan agonist 3350 HTR1A Activator +Aripiprazole lauroxil partial agonist 3350 HTR1A Modulator +Vortioxetine agonist 3350 HTR1A Activator +Ziprasidone agonist 3350 HTR1A Activator +Penbutolol antagonist 3350 HTR1A Inhibitor +Dosulepin antagonist 3350 HTR1A Inhibitor +Pipotiazine antagonist 3350 HTR1A Inhibitor +Brexpiprazole agonist|partial agonist 3350 HTR1A Activator +Chlorpromazine antagonist 3350 HTR1A Inhibitor +Vortioxetine partial agonist 3351 HTR1B Modulator +Zolmitriptan agonist 3351 HTR1B Activator +Naratriptan agonist 3351 HTR1B Activator +Rizatriptan agonist 3351 HTR1B Activator +Eletriptan agonist 3351 HTR1B Activator +Frovatriptan agonist 3351 HTR1B Activator +Sumatriptan agonist 3351 HTR1B Activator +Dihydroergotamine agonist 3351 HTR1B Activator +Ergotamine agonist 3351 HTR1B Activator +Naratriptan agonist 3352 HTR1D Activator +Frovatriptan agonist 3352 HTR1D Activator +Ziprasidone antagonist 3352 HTR1D Inhibitor +Dihydroergotamine agonist 3352 HTR1D Activator +Eletriptan agonist 3352 HTR1D Activator +Sumatriptan agonist 3352 HTR1D Activator +Ergotamine agonist 3352 HTR1D Activator +Zolmitriptan agonist 3352 HTR1D Activator +Rizatriptan agonist 3352 HTR1D Activator +Eletriptan agonist 3355 HTR1F Activator +Naratriptan agonist 3355 HTR1F Activator +Dihydroergotamine agonist 3355 HTR1F Activator +Sumatriptan agonist 3355 HTR1F Activator +Zolmitriptan agonist 3355 HTR1F Activator +Lasmiditan agonist 3355 HTR1F Activator +Rizatriptan agonist 3355 HTR1F Activator +Dosulepin antagonist 3356 HTR2A Inhibitor +Mesoridazine antagonist 3356 HTR2A Inhibitor +Amisulpride antagonist 3356 HTR2A Inhibitor +Nortriptyline antagonist 3356 HTR2A Inhibitor +Ergotamine agonist 3356 HTR2A Activator +Minaprine antagonist 3356 HTR2A Inhibitor +Aripiprazole lauroxil antagonist 3356 HTR2A Inhibitor +Lurasidone antagonist 3356 HTR2A Inhibitor +Quetiapine antagonist 3356 HTR2A Inhibitor +Methysergide antagonist 3356 HTR2A Inhibitor +Desipramine antagonist 3356 HTR2A Inhibitor +Risperidone antagonist 3356 HTR2A Inhibitor +Cyclobenzaprine antagonist 3356 HTR2A Inhibitor +Cyproheptadine antagonist 3356 HTR2A Inhibitor +Lorpiprazole antagonist 3356 HTR2A Inhibitor +Aripiprazole antagonist|partial agonist 3356 HTR2A Activator +Mirtazapine antagonist 3356 HTR2A Inhibitor +Ziprasidone antagonist 3356 HTR2A Inhibitor +Chlorpromazine antagonist 3356 HTR2A Inhibitor +Clomipramine antagonist 3356 HTR2A Inhibitor +Paliperidone antagonist 3356 HTR2A Inhibitor +Amitriptyline antagonist 3356 HTR2A Inhibitor +Olanzapine antagonist 3356 HTR2A Inhibitor +Lumateperone antagonist 3356 HTR2A Inhibitor +Trazodone antagonist 3356 HTR2A Inhibitor +Clozapine antagonist 3356 HTR2A Inhibitor +Flibanserin antagonist 3356 HTR2A Inhibitor +Brexpiprazole antagonist 3356 HTR2A Inhibitor +Pipotiazine antagonist 3356 HTR2A Inhibitor +Iloperidone antagonist 3356 HTR2A Inhibitor +Lisuride agonist 3356 HTR2A Activator +Pimavanserin inverse agonist 3356 HTR2A Modulator +Asenapine antagonist 3356 HTR2A Inhibitor +Loxapine antagonist 3356 HTR2A Inhibitor +Clomipramine antagonist 3357 HTR2B Inhibitor +Triflupromazine antagonist 3357 HTR2B Inhibitor +Methysergide antagonist 3357 HTR2B Inhibitor +Minaprine antagonist 3357 HTR2B Inhibitor +Clomipramine antagonist 3358 HTR2C Inhibitor +Methysergide antagonist 3358 HTR2C Inhibitor +Ziprasidone antagonist 3358 HTR2C Inhibitor +Paliperidone antagonist 3358 HTR2C Inhibitor +Trazodone agonist 3358 HTR2C Activator +Cyproheptadine antagonist 3358 HTR2C Inhibitor +Lisuride agonist 3358 HTR2C Activator +Agomelatine antagonist 3358 HTR2C Inhibitor +Lorpiprazole antagonist 3358 HTR2C Inhibitor +Minaprine antagonist 3358 HTR2C Inhibitor +Haloperidol unknown 3358 HTR2C other +Ketamine potentiator 3359 HTR3A Activator +Vortioxetine antagonist 3359 HTR3A Inhibitor +Granisetron antagonist 3359 HTR3A Inhibitor +Palonosetron antagonist 3359 HTR3A Inhibitor +Tubocurarine antagonist 3359 HTR3A Inhibitor +Procaine antagonist 3359 HTR3A Inhibitor +Tropisetron antagonist 3359 HTR3A Inhibitor +Metoclopramide antagonist 3359 HTR3A Inhibitor +Dolasetron antagonist 3359 HTR3A Inhibitor +Metoclopramide agonist 3360 HTR4 Activator +Prucalopride agonist 3360 HTR4 Activator +Amisulpride antagonist 3363 HTR7 Inhibitor +Vortioxetine antagonist 3363 HTR7 Inhibitor +Methysergide antagonist 3363 HTR7 Inhibitor +Hyaluronic acid inhibitor|binder 3383 ICAM1 Inhibitor +Bacitracin inhibitor 3416 IDE Inhibitor +Olutasidenib inhibitor 3417 IDH1 Inhibitor +Ivosidenib inhibitor 3417 IDH1 Inhibitor +Enasidenib inhibitor 3418 IDH2 Inhibitor +Interferon beta-1a agonist 3454 IFNAR1 Activator +Peginterferon alfa-2a agonist 3454 IFNAR1 Activator +Anifrolumab inhibitor 3454 IFNAR1 Inhibitor +Interferon beta-1b agonist 3454 IFNAR1 Activator +Interferon alfa-n3 agonist 3454 IFNAR1 Activator +Interferon alfa-n1 agonist 3454 IFNAR1 Activator +Peginterferon alfa-2b agonist 3454 IFNAR1 Activator +Interferon alfa-2b binder 3454 IFNAR1 Ligand +Interferon alfacon-1 binder 3454 IFNAR1 Ligand +Human interferon beta binder 3454 IFNAR1 Ligand +Interferon alfa-2a unknown 3454 IFNAR1 other +Interferon alfa-2b binder 3455 IFNAR2 Ligand +Interferon beta-1a unknown 3455 IFNAR2 other +Peginterferon alfa-2a agonist 3455 IFNAR2 Activator +Interferon alfa-n1 agonist 3455 IFNAR2 Activator +Interferon alfacon-1 binder 3455 IFNAR2 Ligand +Interferon alfa-2a unknown 3455 IFNAR2 other +Interferon beta-1b agonist 3455 IFNAR2 Activator +Nylidrin agonist 3455 IFNAR2 Activator +Interferon alfa-n3 agonist 3455 IFNAR2 Activator +Peginterferon alfa-2b agonist 3455 IFNAR2 Activator +Emapalumab neutralizer 3458 IFNG other +Foreskin keratinocyte (neonatal) agonist 3458 IFNG Activator +Olsalazine unknown 3458 IFNG other +Interferon gamma-1b binder 3459 IFNGR1 Ligand +Interferon gamma-1b binder 3460 IFNGR2 Ligand +Mecasermin agonist 3480 IGF1R Activator +Mecasermin rinfabate agonist 3480 IGF1R Activator +Arsenic trioxide inducer 3551 IKBKB Activator +Auranofin inhibitor 3551 IKBKB Inhibitor +Gallium nitrate antagonist 3553 IL1B Inhibitor +Foreskin keratinocyte (neonatal) agonist 3553 IL1B Activator +Canakinumab binder 3553 IL1B Ligand +Anakinra antagonist 3554 IL1R1 Inhibitor +Basiliximab antibody 3559 IL2RA Modulator +Denileukin diftitox binder 3559 IL2RA Ligand +Aldesleukin agonist|modulator 3559 IL2RA Activator +Aldesleukin agonist|modulator 3560 IL2RB Activator +Denileukin diftitox agonist 3560 IL2RB Activator +Aldesleukin agonist 3561 IL2RG Activator +Tagraxofusp ligand 3563 IL3RA Ligand +Sargramostim agonist 3563 IL3RA Activator +Dupilumab inhibitor|antibody 3565 IL4 Inhibitor +Dupilumab inhibitor|antibody 3566 IL4R Inhibitor +Reslizumab antagonist|regulator 3567 IL5 Activator +Mepolizumab antagonist|regulator 3567 IL5 Activator +Benralizumab antibody 3568 IL5RA Modulator +Foreskin keratinocyte (neonatal) agonist 3569 IL6 Activator +Siltuximab antagonist|antibody 3569 IL6 Activator +Tocilizumab inhibitor|antibody 3570 IL6R Inhibitor +Satralizumab binder|antibody 3570 IL6R Inhibitor +Sarilumab antagonist|antibody 3570 IL6R Activator +Oprelvekin agonist 3590 IL11RA Activator +Ustekinumab inhibitor 3593 IL12B Inhibitor +Dupilumab inhibitor|antibody 3596 IL13 Inhibitor +Tralokinumab antibody 3596 IL13 Modulator +Bimekizumab antibody 3605 IL17A Modulator +Secukinumab inhibitor 3605 IL17A Inhibitor +Ixekizumab antibody 3605 IL17A Modulator +Ribavirin inhibitor 3614 IMPDH1 Inhibitor +Mycophenolic acid inhibitor 3614 IMPDH1 Inhibitor +Mycophenolate mofetil inhibitor|inducer 3614 IMPDH1 Activator +Mycophenolate mofetil inhibitor 3615 IMPDH2 Inhibitor +Mycophenolic acid inhibitor 3615 IMPDH2 Inhibitor +Insulin pork binder 3643 INSR Ligand +Insulin beef agonist 3643 INSR Activator +Insulin degludec agonist 3643 INSR Activator +Insulin detemir agonist 3643 INSR Activator +Insulin lispro agonist 3643 INSR Activator +Chromic chloride activator 3643 INSR Activator +Insulin glargine agonist 3643 INSR Activator +Insulin glulisine agonist 3643 INSR Activator +Insulin human agonist 3643 INSR Activator +Insulin aspart agonist 3643 INSR Activator +Tirofiban antagonist 3674 ITGA2B Inhibitor +Abciximab antagonist 3674 ITGA2B Inhibitor +Natalizumab antibody 3676 ITGA4 Modulator +Vedolizumab antibody 3676 ITGA4 Modulator +Lifitegrast antagonist 3683 ITGAL Inhibitor +Antithymocyte immunoglobulin (rabbit) unknown 3683 ITGAL other +Levothyroxine unknown 3685 ITGAV other +Antithymocyte immunoglobulin (rabbit) unknown 3685 ITGAV other +Antithymocyte immunoglobulin (rabbit) unknown 3688 ITGB1 other +Tirofiban antagonist 3690 ITGB3 Inhibitor +Abciximab antagonist 3690 ITGB3 Inhibitor +Eptifibatide unknown 3690 ITGB3 other +Antithymocyte immunoglobulin (rabbit) unknown 3690 ITGB3 other +Levothyroxine unknown 3690 ITGB3 other +Vedolizumab antibody 3695 ITGB7 Modulator +Tofacitinib inhibitor 3716 JAK1 Inhibitor +Baricitinib inhibitor 3716 JAK1 Inhibitor +Abrocitinib inhibitor 3716 JAK1 Inhibitor +Upadacitinib inhibitor 3716 JAK1 Inhibitor +Ruxolitinib inhibitor 3716 JAK1 Inhibitor +Filgotinib inhibitor 3716 JAK1 Inhibitor +Pacritinib inhibitor 3717 JAK2 Inhibitor +Fedratinib inhibitor 3717 JAK2 Inhibitor +Baricitinib inhibitor 3717 JAK2 Inhibitor +Ruxolitinib inhibitor 3717 JAK2 Inhibitor +Tofacitinib antagonist|inhibitor 3717 JAK2 Activator +Tofacitinib inhibitor 3718 JAK3 Inhibitor +Ruxolitinib inhibitor 3718 JAK3 Inhibitor +Baricitinib inhibitor 3718 JAK3 Inhibitor +Adapalene antagonist 3725 JUN Inhibitor +Arsenic trioxide inducer 3725 JUN Activator +Isoflurane inducer 3736 KCNA1 Activator +Amifampridine blocker 3736 KCNA1 Inhibitor +Desflurane inducer 3736 KCNA1 Activator +Dalfampridine antagonist 3736 KCNA1 Inhibitor +Dalfampridine antagonist 3737 KCNA2 Inhibitor +Dalfampridine antagonist 3738 KCNA3 Inhibitor +Dalfampridine antagonist 3739 KCNA4 Inhibitor +Vernakalant blocker 3741 KCNA5 Inhibitor +Dalfampridine antagonist 3741 KCNA5 Inhibitor +Dalfampridine antagonist 3742 KCNA6 Inhibitor +Dalfampridine antagonist 3743 KCNA7 Inhibitor +Dalfampridine antagonist 3744 KCNA10 Inhibitor +Dalfampridine antagonist 3745 KCNB1 Inhibitor +Dalfampridine antagonist 3746 KCNC1 Inhibitor +Dalfampridine antagonist 3747 KCNC2 Inhibitor +Dalfampridine antagonist 3748 KCNC3 Inhibitor +Dalfampridine antagonist 3750 KCND1 Inhibitor +Dalfampridine antagonist 3751 KCND2 Inhibitor +Dronedarone inhibitor 3752 KCND3 Inhibitor +Vernakalant blocker 3752 KCND3 Inhibitor +Dalfampridine antagonist 3752 KCND3 Inhibitor +Ibutilide inhibitor 3757 KCNH2 Inhibitor +Propafenone inhibitor 3757 KCNH2 Inhibitor +Halofantrine inhibitor 3757 KCNH2 Inhibitor +Phenytoin inhibitor 3757 KCNH2 Inhibitor +Dronedarone inhibitor 3757 KCNH2 Inhibitor +Pimozide inhibitor 3757 KCNH2 Inhibitor +Dofetilide inhibitor 3757 KCNH2 Inhibitor +Sotalol inhibitor 3757 KCNH2 Inhibitor +Minoxidil inducer 3758 KCNJ1 Activator +Glymidine unknown 3758 KCNJ1 other +Bethanidine inhibitor 3758 KCNJ1 Inhibitor +Glimepiride inhibitor 3758 KCNJ1 Inhibitor +Dronedarone inhibitor 3760 KCNJ3 Inhibitor +Gliquidone inhibitor 3764 KCNJ8 Inhibitor +Levosimendan inducer 3764 KCNJ8 Activator +Thiamylal inhibitor 3764 KCNJ8 Inhibitor +Levosimendan inducer 3767 KCNJ11 Activator +Thiamylal inhibitor 3767 KCNJ11 Inhibitor +Glimepiride inhibitor 3767 KCNJ11 Inhibitor +Diazoxide inducer 3767 KCNJ11 Activator +Dofetilide inhibitor 3768 KCNJ12 Inhibitor +Dofetilide inhibitor 3776 KCNK2 Inhibitor +Dronedarone inhibitor 3776 KCNK2 Inhibitor +Doxapram inhibitor 3777 KCNK3 Inhibitor +Halothane binder 3777 KCNK3 Ligand +Hydrochlorothiazide inhibitor 3778 KCNMA1 Inhibitor +Bendroflumethiazide inducer 3778 KCNMA1 Activator +Chlorzoxazone unknown 3778 KCNMA1 other +Clotrimazole inhibitor 3783 KCNN4 Inhibitor +Dronedarone inhibitor 3784 KCNQ1 Inhibitor +Pazopanib inhibitor 3791 KDR Inhibitor +Ramucirumab antagonist 3791 KDR Inhibitor +Cabozantinib antagonist 3791 KDR Inhibitor +Regorafenib inhibitor 3791 KDR Inhibitor +Midostaurin antagonist|inhibitor 3791 KDR Activator +Nintedanib inhibitor 3791 KDR Inhibitor +Ripretinib inhibitor 3791 KDR Inhibitor +Lenvatinib inhibitor 3791 KDR Inhibitor +Tivozanib inhibitor 3791 KDR Inhibitor +Axitinib inhibitor 3791 KDR Inhibitor +Sunitinib inhibitor 3791 KDR Inhibitor +Sorafenib antagonist 3791 KDR Inhibitor +Lenvatinib inhibitor 3815 KIT Inhibitor +Sorafenib antagonist 3815 KIT Inhibitor +Tivozanib inhibitor 3815 KIT Inhibitor +Pazopanib inhibitor 3815 KIT Inhibitor +Regorafenib inhibitor 3815 KIT Inhibitor +Imatinib antagonist 3815 KIT Inhibitor +Sunitinib inhibitor 3815 KIT Inhibitor +Ripretinib inhibitor 3815 KIT Inhibitor +Conestat alfa inhibitor 3818 KLKB1 Inhibitor +Ecallantide inhibitor 3818 KLKB1 Inhibitor +Human C1-esterase inhibitor inhibitor 3818 KLKB1 Inhibitor +Lanadelumab inhibitor|regulator 3818 KLKB1 Inhibitor +Berotralstat inhibitor 3818 KLKB1 Inhibitor +Sotorasib inhibitor 3845 KRAS Inhibitor +Adagrasib inhibitor 3845 KRAS Inhibitor +Anthralin antagonist 3849 KRT2 Inhibitor +Anthralin antagonist 3859 KRT12 Inhibitor +Relatlimab antibody 3902 LAG3 Modulator +Dasatinib multitarget 3932 LCK Inhibitor +Stiripentol inhibitor 3939 LDHA Inhibitor +Stiripentol inhibitor 3945 LDHB Inhibitor +Metreleptin agonist 3953 LEPR Activator +Choriogonadotropin alfa unknown 3973 LHCGR other +Chorionic Gonadotropin (Human) ligand 3973 LHCGR Ligand +Goserelin agonist 3973 LHCGR Activator +Menotropins unknown 3973 LHCGR other +Buserelin unknown 3973 LHCGR other +Lutropin alfa agonist 3973 LHCGR Activator +alpha-Linolenic acid ligand 3992 FADS1 Ligand +Omega-3-carboxylic acids stimulator 4023 LPL Activator +Tyloxapol inhibitor 4023 LPL Inhibitor +Glycyrrhizic acid inducer 4023 LPL Activator +Etanercept antibody 4049 LTA Modulator +Sacituzumab govitecan antibody 4070 TACSTD2 Modulator +Alglucosidase alfa binder 4074 M6PR Ligand +Isocarboxazid inhibitor 4128 MAOA Inhibitor +Minaprine inhibitor 4128 MAOA Inhibitor +Moclobemide antagonist|inhibitor 4128 MAOA Activator +Phenelzine antagonist 4128 MAOA Inhibitor +Tranylcypromine inhibitor 4128 MAOA Inhibitor +Phentermine antagonist 4128 MAOA Inhibitor +Selegiline inhibitor 4129 MAOB Inhibitor +Rasagiline inhibitor 4129 MAOB Inhibitor +Isocarboxazid inhibitor 4129 MAOB Inhibitor +Tranylcypromine inhibitor 4129 MAOB Inhibitor +Phentermine antagonist 4129 MAOB Inhibitor +Safinamide antagonist 4129 MAOB Inhibitor +Pargyline inhibitor 4129 MAOB Inhibitor +Phenelzine antagonist 4129 MAOB Inhibitor +Estramustine antagonist 4130 MAP1A Inhibitor +Estramustine antagonist 4133 MAP2 Inhibitor +Docetaxel unknown 4133 MAP2 other +Paclitaxel unknown 4133 MAP2 other +Paclitaxel unknown 4134 MAP4 other +Docetaxel unknown 4134 MAP4 other +Paclitaxel unknown 4137 MAPT other +Flortaucipir F-18 binder 4137 MAPT Ligand +Docetaxel unknown 4137 MAPT other +Carbon monoxide inhibitor 4151 MB Inhibitor +Afamelanotide agonist 4157 MC1R Activator +Seractide acetate agonist 4158 MC2R Activator +Corticotropin agonist 4158 MC2R Activator +Tetracosactide agonist 4158 MC2R Activator +Setmelanotide agonist 4160 MC4R Activator +Binimetinib inhibitor 4214 MAP3K1 Inhibitor +Tepotinib inhibitor 4233 MET Inhibitor +Cabozantinib antagonist 4233 MET Inhibitor +Amivantamab antagonist|antibody 4233 MET Activator +Crizotinib inhibitor 4233 MET Inhibitor +Capmatinib inhibitor 4233 MET Inhibitor +Progesterone antagonist|agonist 4306 NR3C2 Modulator +Eplerenone antagonist 4306 NR3C2 Inhibitor +Spironolactone antagonist 4306 NR3C2 Inhibitor +Drospirenone antagonist 4306 NR3C2 Inhibitor +Fludrocortisone agonist 4306 NR3C2 Activator +Finerenone antagonist 4306 NR3C2 Inhibitor +Sacubitril antagonist|inhibitor 4311 MME Activator +Fosdenopterin substrate 4338 MOCS2 Activator +Lusutrombopag agonist 4352 MPL Activator +Romiplostim agonist 4352 MPL Activator +Avatrombopag agonist 4352 MPL Activator +Technetium Tc-99m tilmanocept ligand 4360 MRC1 Ligand +Sulfinpyrazone inhibitor 4363 ABCC1 Inhibitor +Crizotinib inhibitor 4486 MST1R Inhibitor +Desflurane inhibitor 4535 ND1 Inhibitor +Melatonin agonist 4543 MTNR1A Activator +Tasimelteon agonist 4543 MTNR1A Activator +Agomelatine agonist 4543 MTNR1A Activator +Ramelteon multitarget 4543 MTNR1A Inhibitor +Agomelatine agonist 4544 MTNR1B Activator +Tasimelteon agonist 4544 MTNR1B Activator +Ramelteon multitarget 4544 MTNR1B Inhibitor +Melatonin agonist 4544 MTNR1B Activator +Lomitapide antagonist 4547 MTTP Inhibitor +Cyanocobalamin cofactor 4548 MTR other +Hydroxocobalamin cofactor 4548 MTR other +Mecobalamin cofactor 4548 MTR other +Cyanocobalamin cofactor 4594 MMUT other +Hydroxocobalamin cofactor 4594 MMUT other +Mavacamten inhibitory allosteric modulator 4625 MYH7 Inhibitor +Ubidecarenone cofactor 4731 NDUFV3 other +Celecoxib inhibitor 4758 NEU1 Inhibitor +Triflusal antagonist 4790 NFKB1 Inhibitor +Niacin binder 4837 NNMT Ligand +Methylene blue inhibitor 4842 NOS1 Inhibitor +Ketamine inhibitor 4842 NOS1 Inhibitor +Triflusal agonist 4843 NOS2 Activator +Sapropterin cofactor 4846 NOS3 other +Phentermine inhibitor 4852 NPY Inhibitor +Cladribine inducer 4860 PNP Activator +Nitroprusside agonist 4881 NPR1 Activator +Erythrityl tetranitrate agonist 4881 NPR1 Activator +Amyl Nitrite agonist 4881 NPR1 Activator +Isosorbide dinitrate agonist 4881 NPR1 Activator +Erythrityl tetranitrate agonist 4882 NPR2 Activator +Vosoritide agonist 4882 NPR2 Activator +Larotrectinib inhibitor 4914 NTRK1 Inhibitor +Regorafenib inhibitor 4914 NTRK1 Inhibitor +Entrectinib inhibitor 4914 NTRK1 Inhibitor +Larotrectinib inhibitor 4915 NTRK2 Inhibitor +Entrectinib inhibitor 4916 NTRK3 Inhibitor +Larotrectinib inhibitor 4916 NTRK3 Inhibitor +Regorafenib inhibitor 4921 DDR2 Inhibitor +Opium agonist 4985 OPRD1 Activator +Oxycodone agonist 4985 OPRD1 Activator +Butorphanol agonist 4985 OPRD1 Activator +Hydromorphone partial agonist 4985 OPRD1 Modulator +Naltrexone antagonist 4985 OPRD1 Inhibitor +Codeine agonist 4985 OPRD1 Activator +Naldemedine antagonist 4985 OPRD1 Inhibitor +Fentanyl agonist 4985 OPRD1 Activator +Methadone agonist 4985 OPRD1 Activator +Nalbuphine antagonist 4985 OPRD1 Inhibitor +Naloxone antagonist 4985 OPRD1 Inhibitor +Morphine agonist 4985 OPRD1 Activator +Eluxadoline antagonist 4985 OPRD1 Inhibitor +Hydrocodone agonist 4985 OPRD1 Activator +Dezocine antagonist 4986 OPRK1 Inhibitor +Nalbuphine agonist 4986 OPRK1 Activator +Pentazocine agonist 4986 OPRK1 Activator +Naltrexone antagonist 4986 OPRK1 Inhibitor +Butorphanol agonist 4986 OPRK1 Activator +Buprenorphine antagonist 4986 OPRK1 Inhibitor +Naloxone antagonist 4986 OPRK1 Inhibitor +Difelikefalin agonist 4986 OPRK1 Activator +Eluxadoline agonist 4986 OPRK1 Activator +Meperidine unknown 4986 OPRK1 other +Hydromorphone agonist 4986 OPRK1 Activator +Codeine agonist 4986 OPRK1 Activator +Naldemedine antagonist 4986 OPRK1 Inhibitor +Oxycodone agonist 4986 OPRK1 Activator +Opium agonist 4986 OPRK1 Activator +Morphine agonist 4986 OPRK1 Activator +Pholcodine antagonist 4986 OPRK1 Inhibitor +Oxycodone agonist 4988 OPRM1 Activator +Levorphanol agonist 4988 OPRM1 Activator +Remifentanil agonist 4988 OPRM1 Activator +Oliceridine agonist 4988 OPRM1 Activator +Methylnaltrexone antagonist 4988 OPRM1 Inhibitor +Alfentanil agonist 4988 OPRM1 Activator +Diamorphine agonist 4988 OPRM1 Activator +Naloxone antagonist 4988 OPRM1 Inhibitor +Hydromorphone agonist 4988 OPRM1 Activator +Buprenorphine partial agonist 4988 OPRM1 Modulator +Samidorphan antagonist 4988 OPRM1 Inhibitor +Levallorphan partial agonist 4988 OPRM1 Modulator +Loperamide agonist 4988 OPRM1 Activator +Oxymorphone agonist 4988 OPRM1 Activator +Morphine agonist|regulator 4988 OPRM1 Activator +Dezocine agonist 4988 OPRM1 Activator +Naloxegol antagonist 4988 OPRM1 Inhibitor +Alvimopan antagonist 4988 OPRM1 Inhibitor +Pholcodine antagonist 4988 OPRM1 Inhibitor +Hydrocodone agonist 4988 OPRM1 Activator +Naldemedine antagonist 4988 OPRM1 Inhibitor +Eluxadoline agonist 4988 OPRM1 Activator +Pentazocine antagonist 4988 OPRM1 Inhibitor +Butorphanol antagonist 4988 OPRM1 Inhibitor +Methadone agonist 4988 OPRM1 Activator +Trimebutine agonist 4988 OPRM1 Activator +Opium agonist 4988 OPRM1 Activator +Tramadol agonist 4988 OPRM1 Activator +Nalbuphine antagonist 4988 OPRM1 Inhibitor +Sufentanil agonist 4988 OPRM1 Activator +Codeine agonist|regulator 4988 OPRM1 Activator +Diphenoxylate agonist 4988 OPRM1 Activator +Anileridine agonist 4988 OPRM1 Activator +Naltrexone antagonist 4988 OPRM1 Inhibitor +Fentanyl agonist 4988 OPRM1 Activator +Tapentadol agonist 4988 OPRM1 Activator +Vasopressin agonist 5021 OXTR Activator +Carbetocin agonist 5021 OXTR Activator +Oxytocin agonist 5021 OXTR Activator +Atosiban antagonist 5021 OXTR Inhibitor +Eslicarbazepine unknown 5025 P2RX4 other +Eslicarbazepine acetate antagonist 5025 P2RX4 Inhibitor +Sapropterin cofactor 5053 PAH other +Avelumab inhibitor|antibody 5133 PDCD1 Inhibitor +Atezolizumab inhibitor 5133 PDCD1 Inhibitor +Dostarlimab binder|antibody 5133 PDCD1 Inhibitor +Nivolumab inhibitor|antibody 5133 PDCD1 Inhibitor +Pembrolizumab inhibitor|antibody 5133 PDCD1 Inhibitor +Cemiplimab inhibitor|antibody 5133 PDCD1 Inhibitor +Cilostazol inhibitor 5139 PDE3A Inhibitor +Theophylline inhibitor 5139 PDE3A Inhibitor +Anagrelide inhibitor 5139 PDE3A Inhibitor +Enoximone inhibitor 5139 PDE3A Inhibitor +Oxtriphylline inhibitor 5139 PDE3A Inhibitor +Amrinone inhibitor 5139 PDE3A Inhibitor +Aminophylline inhibitor 5139 PDE3A Inhibitor +Milrinone inhibitor 5139 PDE3A Inhibitor +Drotaverine inhibitor 5141 PDE4A Inhibitor +Theophylline inhibitor 5141 PDE4A Inhibitor +Enprofylline inhibitor 5141 PDE4A Inhibitor +Dipyridamole inhibitor 5141 PDE4A Inhibitor +Dyphylline inhibitor 5141 PDE4A Inhibitor +Oxtriphylline inhibitor 5141 PDE4A Inhibitor +Enprofylline inhibitor 5142 PDE4B Inhibitor +Dyphylline inhibitor 5142 PDE4B Inhibitor +Papaverine inhibitor 5142 PDE4B Inhibitor +Theophylline inhibitor 5142 PDE4B Inhibitor +Dyphylline inhibitor 5143 PDE4C Inhibitor +Dyphylline inhibitor 5144 PDE4D Inhibitor +Foreskin keratinocyte (neonatal) agonist 5156 PDGFRA Activator +Midostaurin antagonist|inhibitor 5156 PDGFRA Activator +Regorafenib inhibitor 5156 PDGFRA Inhibitor +Imatinib antagonist 5156 PDGFRA Inhibitor +Pazopanib inhibitor 5156 PDGFRA Inhibitor +Olaratumab antagonist 5156 PDGFRA Inhibitor +Nintedanib inhibitor 5156 PDGFRA Inhibitor +Sunitinib inhibitor 5156 PDGFRA Inhibitor +Ripretinib inhibitor 5156 PDGFRA Inhibitor +Lenvatinib inhibitor 5156 PDGFRA Inhibitor +Sorafenib antagonist 5159 PDGFRB Inhibitor +Midostaurin antagonist|inhibitor 5159 PDGFRB Activator +Pazopanib inhibitor 5159 PDGFRB Inhibitor +Becaplermin unknown 5159 PDGFRB other +Nintedanib inhibitor 5159 PDGFRB Inhibitor +Imatinib antagonist 5159 PDGFRB Inhibitor +Ripretinib inhibitor 5159 PDGFRB Inhibitor +Regorafenib inhibitor 5159 PDGFRB Inhibitor +Sunitinib inhibitor 5159 PDGFRB Inhibitor +Tivozanib inhibitor 5159 PDGFRB Inhibitor +Dichloroacetic acid inhibitor 5163 PDK1 Inhibitor +Sucralfate inhibitor 5222 PGA5 Inhibitor +Aflibercept binder 5228 PGF Ligand +Ulipristal modulator 5241 PGR Inhibitor +Ethynodiol diacetate agonist 5241 PGR Activator +Norelgestromin agonist 5241 PGR Activator +Danazol agonist 5241 PGR Activator +Mifepristone antagonist 5241 PGR Inhibitor +Norgestimate agonist 5241 PGR Activator +Norethisterone agonist 5241 PGR Activator +Medroxyprogesterone acetate agonist 5241 PGR Activator +Levonorgestrel modulator 5241 PGR Inhibitor +Segesterone acetate agonist|activator 5241 PGR Activator +Drospirenone agonist 5241 PGR Activator +Desogestrel agonist 5241 PGR Activator +Norgestrel binder 5241 PGR Ligand +Dienogest agonist 5241 PGR Activator +Etonogestrel agonist 5241 PGR Activator +Megestrol acetate agonist 5241 PGR Activator +Progesterone agonist 5241 PGR Activator +Alpelisib inhibitor 5290 PIK3CA Inhibitor +Copanlisib inhibitor 5290 PIK3CA Inhibitor +Copanlisib inhibitor 5293 PIK3CD Inhibitor +Duvelisib inhibitor 5293 PIK3CD Inhibitor +Idelalisib inhibitor 5293 PIK3CD Inhibitor +Duvelisib inhibitor 5294 PIK3CG Inhibitor +Mitapivat activator 5313 PKLR Activator +Sulfasalazine antagonist 5319 PLA2G1B Inhibitor +Indomethacin inhibitor 5320 PLA2G2A Inhibitor +Aminocaproic acid antagonist 5327 PLAT Inhibitor +Conestat alfa inhibitor 5327 PLAT Inhibitor +Human C1-esterase inhibitor inhibitor 5327 PLAT Inhibitor +Alteplase activator 5340 PLG Activator +Tranexamic acid inhibitor 5340 PLG Inhibitor +Anistreplase activator 5340 PLG Activator +Reteplase activator 5340 PLG Activator +Aminocaproic acid inhibitor 5340 PLG Inhibitor +Tenecteplase activator 5340 PLG Activator +Streptokinase activator 5340 PLG Activator +Orlistat inhibitor 5406 PNLIP Inhibitor +Fludarabine inhibitor 5422 POLA1 Inhibitor +Cladribine inhibitor 5422 POLA1 Inhibitor +Clofarabine inhibitor 5422 POLA1 Inhibitor +Cytarabine inhibitor 5423 POLB Inhibitor +Cladribine inhibitor 5426 POLE Inhibitor +Cladribine inhibitor 5427 POLE2 Inhibitor +Gemfibrozil agonist 5465 PPARA Activator +Clofibrate agonist 5465 PPARA Activator +Fenofibric acid agonist 5465 PPARA Activator +Doconexent activator 5465 PPARA Activator +Fenofibrate agonist 5465 PPARA Activator +Bezafibrate agonist 5465 PPARA Activator +Soybean oil activator 5465 PPARA Activator +Treprostinil agonist 5467 PPARD Activator +Bezafibrate agonist 5467 PPARD Activator +Icosapent agonist 5467 PPARD Activator +Glycerin agonist 5467 PPARD Activator +Icosapent agonist|regulator 5468 PPARG Activator +Balsalazide agonist 5468 PPARG Activator +Omega-3 fatty acids ligand 5468 PPARG Ligand +Rosiglitazone agonist 5468 PPARG Activator +Bezafibrate agonist 5468 PPARG Activator +Telmisartan partial agonist 5468 PPARG Modulator +Mesalazine agonist 5468 PPARG Activator +Pioglitazone agonist 5468 PPARG Activator +Doconexent activator 5468 PPARG Activator +Cyclosporine inhibitor|binder 5478 PPIA Inhibitor +Voclosporin inhibitor 5534 PPP3R1 Inhibitor +Cyclosporine inhibitor 5535 PPP3R2 Inhibitor +Voclosporin inhibitor 5535 PPP3R2 Inhibitor +Metformin inducer|activator 5564 PRKAB1 Activator +Midostaurin antagonist|inhibitor 5578 PRKCA Activator +Arsenic trioxide inducer 5594 MAPK1 Activator +Arsenic trioxide inducer 5595 MAPK3 Activator +Regorafenib inhibitor 5600 MAPK11 Inhibitor +Cobimetinib inhibitor 5604 MAP2K1 Inhibitor +Trametinib antagonist|inhibitor 5604 MAP2K1 Activator +Selumetinib inhibitor 5604 MAP2K1 Inhibitor +Trametinib antagonist|inhibitor 5605 MAP2K2 Activator +Selumetinib inhibitor 5605 MAP2K2 Inhibitor +Binimetinib inhibitor 5605 MAP2K2 Inhibitor +Lonapegsomatropin ligand 5618 PRLR Ligand +Somatotropin ligand 5618 PRLR Ligand +Protein S human cofactor 5624 PROC other +Sodium tetradecyl sulfate inhibitor 5624 PROC Inhibitor +Sodium tetradecyl sulfate inhibitor 5627 PROS1 Inhibitor +Bortezomib inhibitor 5689 PSMB1 Inhibitor +Carfilzomib inhibitor 5689 PSMB1 Inhibitor +Carfilzomib inhibitor 5690 PSMB2 Inhibitor +Bortezomib inhibitor 5693 PSMB5 Inhibitor +Carfilzomib inhibitor 5693 PSMB5 Inhibitor +Carfilzomib inhibitor 5696 PSMB8 Inhibitor +Carfilzomib inhibitor 5698 PSMB9 Inhibitor +Carfilzomib inhibitor 5699 PSMB10 Inhibitor +Rupatadine antagonist 5724 PTAFR Inhibitor +Treprostinil agonist 5729 PTGDR Activator +Misoprostol agonist 5731 PTGER1 Activator +Iloprost agonist 5731 PTGER1 Activator +Dinoprostone agonist 5731 PTGER1 Activator +Alprostadil agonist 5731 PTGER1 Activator +Carboprost tromethamine agonist 5731 PTGER1 Activator +Bimatoprost agonist 5731 PTGER1 Activator +Omidenepag isopropyl agonist 5732 PTGER2 Activator +Misoprostol agonist 5732 PTGER2 Activator +Dinoprostone agonist 5732 PTGER2 Activator +Alprostadil agonist 5732 PTGER2 Activator +Treprostinil agonist 5732 PTGER2 Activator +Dinoprostone agonist 5733 PTGER3 Activator +Misoprostol agonist 5733 PTGER3 Activator +Castor oil agonist|activator 5733 PTGER3 Activator +Bimatoprost agonist 5733 PTGER3 Activator +Dinoprostone agonist 5734 PTGER4 Activator +Latanoprost agonist 5737 PTGFR Activator +Latanoprostene bunod agonist 5737 PTGFR Activator +Travoprost agonist 5737 PTGFR Activator +Tafluprost agonist 5737 PTGFR Activator +Bimatoprost agonist 5737 PTGFR Activator +Dinoprost tromethamine agonist 5737 PTGFR Activator +Iloprost agonist 5739 PTGIR Activator +Treprostinil agonist 5739 PTGIR Activator +Epoprostenol agonist 5739 PTGIR Activator +Selexipag agonist 5739 PTGIR Activator +Phenylbutazone inhibitor 5740 PTGIS Inhibitor +Epoprostenol inducer 5740 PTGIS Activator +Menthyl salicylate antagonist 5742 PTGS1 Inhibitor +Oxaprozin inhibitor 5742 PTGS1 Inhibitor +Sulfasalazine inhibitor 5742 PTGS1 Inhibitor +Trolamine salicylate inhibitor 5742 PTGS1 Inhibitor +Salsalate inhibitor 5742 PTGS1 Inhibitor +Triflusal antagonist 5742 PTGS1 Inhibitor +Tiaprofenic acid inhibitor 5742 PTGS1 Inhibitor +Phenylbutazone inhibitor 5742 PTGS1 Inhibitor +Meclofenamic acid inhibitor 5742 PTGS1 Inhibitor +Glycol salicylate antagonist 5742 PTGS1 Inhibitor +Salicylic acid inhibitor 5742 PTGS1 Inhibitor +Diclofenac inhibitor 5742 PTGS1 Inhibitor +Lumiracoxib inhibitor 5742 PTGS1 Inhibitor +Ibuprofen inhibitor 5742 PTGS1 Inhibitor +Balsalazide inhibitor 5742 PTGS1 Inhibitor +Acetaminophen inhibitor 5742 PTGS1 Inhibitor +Mesalazine inhibitor 5742 PTGS1 Inhibitor +Lornoxicam inhibitor 5742 PTGS1 Inhibitor +Naproxen inhibitor 5742 PTGS1 Inhibitor +Acemetacin antagonist 5742 PTGS1 Inhibitor +Loxoprofen antagonist 5742 PTGS1 Inhibitor +Tolfenamic acid antagonist 5742 PTGS1 Inhibitor +Aceclofenac inhibitor 5742 PTGS1 Inhibitor +Acetylsalicylic acid inhibitor 5742 PTGS1 Inhibitor +Icosapent inhibitor 5742 PTGS1 Inhibitor +Salsalate inhibitor 5743 PTGS2 Inhibitor +Oxaprozin inhibitor 5743 PTGS2 Inhibitor +Tolmetin inhibitor 5743 PTGS2 Inhibitor +Mesalazine inhibitor 5743 PTGS2 Inhibitor +Flurbiprofen inhibitor 5743 PTGS2 Inhibitor +Pomalidomide inhibitor 5743 PTGS2 Inhibitor +Menthyl salicylate antagonist 5743 PTGS2 Inhibitor +Glycol salicylate antagonist 5743 PTGS2 Inhibitor +Tenoxicam inhibitor 5743 PTGS2 Inhibitor +Tiaprofenic acid inhibitor 5743 PTGS2 Inhibitor +Sulfasalazine inhibitor 5743 PTGS2 Inhibitor +Ibuprofen inhibitor 5743 PTGS2 Inhibitor +Mefenamic acid inhibitor 5743 PTGS2 Inhibitor +Salicylic acid inhibitor 5743 PTGS2 Inhibitor +Fish oil inhibitor 5743 PTGS2 Inhibitor +Ketoprofen inhibitor 5743 PTGS2 Inhibitor +Naproxen inhibitor 5743 PTGS2 Inhibitor +Phenylbutazone inhibitor 5743 PTGS2 Inhibitor +Sulindac inhibitor 5743 PTGS2 Inhibitor +Parecoxib inhibitor 5743 PTGS2 Inhibitor +Balsalazide inhibitor 5743 PTGS2 Inhibitor +Diflunisal inhibitor 5743 PTGS2 Inhibitor +Acetylsalicylic acid inhibitor 5743 PTGS2 Inhibitor +Ketorolac inhibitor 5743 PTGS2 Inhibitor +Acemetacin antagonist 5743 PTGS2 Inhibitor +Lumiracoxib inhibitor 5743 PTGS2 Inhibitor +Fenoprofen inhibitor 5743 PTGS2 Inhibitor +Icosapent inhibitor 5743 PTGS2 Inhibitor +Meclofenamic acid inhibitor 5743 PTGS2 Inhibitor +Dexibuprofen inhibitor 5743 PTGS2 Inhibitor +Meloxicam inhibitor 5743 PTGS2 Inhibitor +Indomethacin inhibitor 5743 PTGS2 Inhibitor +Etoricoxib inhibitor 5743 PTGS2 Inhibitor +Aceclofenac inhibitor 5743 PTGS2 Inhibitor +Nabumetone inhibitor 5743 PTGS2 Inhibitor +Tolfenamic acid antagonist 5743 PTGS2 Inhibitor +Lornoxicam inhibitor 5743 PTGS2 Inhibitor +Loxoprofen antagonist 5743 PTGS2 Inhibitor +Celecoxib inhibitor 5743 PTGS2 Inhibitor +Diclofenac inhibitor 5743 PTGS2 Inhibitor +Trolamine salicylate inhibitor 5743 PTGS2 Inhibitor +Etodolac inhibitor 5743 PTGS2 Inhibitor +Acetaminophen inhibitor 5743 PTGS2 Inhibitor +Piroxicam inhibitor 5743 PTGS2 Inhibitor +Abaloparatide ligand 5745 PTH1R Ligand +Parathyroid hormone activator 5746 PTH2R Activator +Regorafenib inhibitor 5894 RAF1 Inhibitor +Sorafenib inhibitor 5894 RAF1 Inhibitor +Dabrafenib inhibitor 5894 RAF1 Inhibitor +Acitretin agonist 5914 RARA Activator +Alitretinoin agonist 5914 RARA Activator +Tazarotene agonist 5914 RARA Activator +Acitretin agonist 5915 RARB Activator +Adapalene agonist 5915 RARB Activator +Alitretinoin agonist 5915 RARB Activator +Tazarotene agonist 5915 RARB Activator +Tazarotene agonist 5916 RARG Activator +Acitretin agonist 5916 RARG Activator +Palovarotene agonist 5916 RARG Activator +Adapalene agonist 5916 RARG Activator +Alitretinoin agonist 5916 RARG Activator +Trifarotene agonist 5916 RARG Activator +Tretinoin agonist 5916 RARG Activator +Aliskiren inhibitor 5972 REN Inhibitor +Lenvatinib inhibitor 5979 RET Inhibitor +Pralsetinib inhibitor 5979 RET Inhibitor +Cabozantinib antagonist 5979 RET Inhibitor +Sorafenib inhibitor 5979 RET Inhibitor +Selpercatinib inhibitor 5979 RET Inhibitor +Regorafenib inhibitor 5979 RET Inhibitor +Belumosudil inhibitor 6093 ROCK1 Inhibitor +Netarsudil inhibitor 6093 ROCK1 Inhibitor +Entrectinib inhibitor 6098 ROS1 Inhibitor +Crizotinib inhibitor 6098 ROS1 Inhibitor +Voretigene neparvovec gene replacement 6121 RPE65 other +Omacetaxine mepesuccinate antagonist 6122 RPL3 Inhibitor +Fludarabine inhibitor 6240 RRM1 Inhibitor +Hydroxyurea inhibitor 6240 RRM1 Inhibitor +Gemcitabine inhibitor 6240 RRM1 Inhibitor +Clofarabine inhibitor 6240 RRM1 Inhibitor +Cladribine inhibitor 6240 RRM1 Inhibitor +Gallium nitrate inhibitor 6241 RRM2 Inhibitor +Cladribine inhibitor 6241 RRM2 Inhibitor +Adapalene agonist 6256 RXRA Activator +Bexarotene agonist 6256 RXRA Activator +Alitretinoin agonist 6256 RXRA Activator +Acitretin agonist 6256 RXRA Activator +Doconexent activator 6256 RXRA Activator +Adapalene agonist 6257 RXRB Activator +Tretinoin agonist 6257 RXRB Activator +Doconexent activator 6257 RXRB Activator +Acitretin agonist 6257 RXRB Activator +Tazarotene agonist 6257 RXRB Activator +Bexarotene agonist 6257 RXRB Activator +Alitretinoin agonist 6257 RXRB Activator +Doconexent activator 6258 RXRG Activator +Adapalene agonist 6258 RXRG Activator +Acitretin agonist 6258 RXRG Activator +Alitretinoin agonist 6258 RXRG Activator +Bexarotene agonist 6258 RXRG Activator +Tretinoin agonist 6258 RXRG Activator +Tetracaine modulator 6261 RYR1 Inhibitor +Dantrolene antagonist 6261 RYR1 Inhibitor +Tetracaine modulator 6262 RYR2 Inhibitor +Permethrin inhibitor 6323 SCN1A Inhibitor +Phenazopyridine inhibitor 6323 SCN1A Inhibitor +Phenacemide inhibitor 6323 SCN1A Inhibitor +Phenytoin inhibitor 6323 SCN1A Inhibitor +Zonisamide inhibitor 6323 SCN1A Inhibitor +Zonisamide inhibitor 6324 SCN1B Inhibitor +Phenytoin inhibitor 6326 SCN2A Inhibitor +Tramadol inhibitor 6326 SCN2A Inhibitor +Zonisamide inhibitor 6326 SCN2A Inhibitor +Zonisamide inhibitor 6327 SCN2B Inhibitor +Zonisamide inhibitor 6328 SCN3A Inhibitor +Zonisamide inhibitor 6329 SCN4A Inhibitor +Zonisamide inhibitor 6330 SCN4B Inhibitor +Quinidine inhibitor 6331 SCN5A Inhibitor +Quinidine barbiturate inhibitor 6331 SCN5A Inhibitor +Phenytoin inhibitor 6331 SCN5A Inhibitor +Propafenone inhibitor 6331 SCN5A Inhibitor +Ajmaline inhibitor 6331 SCN5A Inhibitor +Dronedarone inhibitor 6331 SCN5A Inhibitor +Riluzole inhibitor 6331 SCN5A Inhibitor +Vernakalant blocker 6331 SCN5A Inhibitor +Disopyramide inhibitor 6331 SCN5A Inhibitor +Tocainide inhibitor 6331 SCN5A Inhibitor +Zonisamide inhibitor 6331 SCN5A Inhibitor +Cinchocaine inhibitor 6331 SCN5A Inhibitor +Mexiletine inhibitor 6331 SCN5A Inhibitor +Ethotoin inhibitor 6331 SCN5A Inhibitor +Prilocaine inhibitor 6331 SCN5A Inhibitor +Fosphenytoin inhibitor 6331 SCN5A Inhibitor +Lidocaine inhibitor 6331 SCN5A Inhibitor +Indecainide inhibitor 6331 SCN5A Inhibitor +Phenytoin inhibitor 6334 SCN8A Inhibitor +Lidocaine inhibitor 6335 SCN9A Inhibitor +Zonisamide inhibitor 6335 SCN9A Inhibitor +Mepivacaine inhibitor 6336 SCN10A Inhibitor +Dyclonine inhibitor 6336 SCN10A Inhibitor +Benzocaine inhibitor 6336 SCN10A Inhibitor +Cinchocaine inhibitor 6336 SCN10A Inhibitor +Proparacaine inhibitor 6336 SCN10A Inhibitor +Procaine inhibitor 6336 SCN10A Inhibitor +Lidocaine inhibitor 6336 SCN10A Inhibitor +Bupivacaine inhibitor 6336 SCN10A Inhibitor +Ropivacaine inhibitor 6336 SCN10A Inhibitor +Oxybuprocaine inhibitor 6336 SCN10A Inhibitor +Levobupivacaine inhibitor 6336 SCN10A Inhibitor +Triamterene inhibitor 6337 SCNN1A Inhibitor +Amiloride inhibitor 6337 SCNN1A Inhibitor +Amiloride inhibitor 6338 SCNN1B Inhibitor +Triamterene inhibitor 6338 SCNN1B Inhibitor +Amiloride inhibitor 6339 SCNN1D Inhibitor +Triamterene inhibitor 6340 SCNN1G Inhibitor +Amiloride inhibitor 6340 SCNN1G Inhibitor +Secretin human ligand 6344 SCTR Ligand +Ubidecarenone cofactor 6389 SDHA other +Crizanlizumab inhibitor 6403 SELP Inhibitor +Tamoxifen inducer 6462 SHBG Activator +Acarbose inhibitor 6476 SI Inhibitor +Tebentafusp binder 6490 PMEL Ligand +Fluciclovine (18F) binder 6510 SLC1A5 Ligand +Sotagliflozin inhibitor 6523 SLC5A1 Inhibitor +Ertugliflozin antagonist 6524 SLC5A2 Inhibitor +Sotagliflozin inhibitor 6524 SLC5A2 Inhibitor +Empagliflozin inhibitor 6524 SLC5A2 Inhibitor +Dapagliflozin antagonist|inhibitor 6524 SLC5A2 Activator +Canagliflozin inhibitor 6524 SLC5A2 Inhibitor +Potassium perchlorate inhibitor 6528 SLC5A5 Inhibitor +Iodine substrate 6528 SLC5A5 Activator +Tiagabine inhibitor 6529 SLC6A1 Inhibitor +Phentermine inhibitor 6530 SLC6A2 Inhibitor +Desipramine inhibitor 6530 SLC6A2 Inhibitor +Duloxetine inhibitor 6530 SLC6A2 Inhibitor +Dosulepin inhibitor 6530 SLC6A2 Inhibitor +Netarsudil inhibitor 6530 SLC6A2 Inhibitor +Dexmethylphenidate inhibitor 6530 SLC6A2 Inhibitor +Nortriptyline inhibitor 6530 SLC6A2 Inhibitor +Debrisoquine inducer 6530 SLC6A2 Activator +Bupropion inhibitor 6530 SLC6A2 Inhibitor +Pseudoephedrine inhibitor 6530 SLC6A2 Inhibitor +Serdexmethylphenidate inhibitor 6530 SLC6A2 Inhibitor +Protriptyline inhibitor 6530 SLC6A2 Inhibitor +Venlafaxine inhibitor 6530 SLC6A2 Inhibitor +Tapentadol inhibitor 6530 SLC6A2 Inhibitor +Trimipramine inhibitor 6530 SLC6A2 Inhibitor +Maprotiline inhibitor 6530 SLC6A2 Inhibitor +Levomilnacipran inhibitor 6530 SLC6A2 Inhibitor +Phendimetrazine negative modulator 6530 SLC6A2 Inhibitor +Imipramine inhibitor 6530 SLC6A2 Inhibitor +Dextroamphetamine negative modulator 6530 SLC6A2 Inhibitor +Amitriptyline inhibitor 6530 SLC6A2 Inhibitor +Desvenlafaxine inhibitor 6530 SLC6A2 Inhibitor +Orphenadrine inhibitor 6530 SLC6A2 Inhibitor +Atomoxetine inhibitor 6530 SLC6A2 Inhibitor +Diethylpropion inhibitor 6530 SLC6A2 Inhibitor +Guanadrel partial agonist 6530 SLC6A2 Modulator +Milnacipran inhibitor 6530 SLC6A2 Inhibitor +Reboxetine inhibitor 6530 SLC6A2 Inhibitor +Cocaine inhibitor 6530 SLC6A2 Inhibitor +Mazindol inhibitor 6530 SLC6A2 Inhibitor +Phenmetrazine inhibitor 6530 SLC6A2 Inhibitor +Doxepin inhibitor 6530 SLC6A2 Inhibitor +Guanethidine inducer 6530 SLC6A2 Activator +Tramadol inhibitor 6530 SLC6A2 Inhibitor +Dextroamphetamine negative modulator 6531 SLC6A3 Inhibitor +Bupropion inhibitor 6531 SLC6A3 Inhibitor +Serdexmethylphenidate inhibitor 6531 SLC6A3 Inhibitor +Cocaine inhibitor 6531 SLC6A3 Inhibitor +Procaine inhibitor 6531 SLC6A3 Inhibitor +Pseudoephedrine inhibitor 6531 SLC6A3 Inhibitor +Amphetamine negative modulator 6531 SLC6A3 Inhibitor +Armodafinil antagonist|inhibitor 6531 SLC6A3 Activator +Dexmethylphenidate inhibitor 6531 SLC6A3 Inhibitor +Phenmetrazine inhibitor 6531 SLC6A3 Inhibitor +Dopamine inducer 6531 SLC6A3 Activator +Phentermine inhibitor 6531 SLC6A3 Inhibitor +Methylphenidate inhibitor 6531 SLC6A3 Inhibitor +Mazindol inhibitor 6531 SLC6A3 Inhibitor +Diethylpropion inhibitor 6531 SLC6A3 Inhibitor +Benzatropine inhibitor 6531 SLC6A3 Inhibitor +Modafinil inhibitor 6531 SLC6A3 Inhibitor +Vilazodone inhibitor 6532 SLC6A4 Inhibitor +Levomilnacipran inhibitor 6532 SLC6A4 Inhibitor +Fluvoxamine inhibitor 6532 SLC6A4 Inhibitor +Amoxapine inhibitor 6532 SLC6A4 Inhibitor +Amitriptyline inhibitor 6532 SLC6A4 Inhibitor +Escitalopram inhibitor 6532 SLC6A4 Inhibitor +Venlafaxine inhibitor 6532 SLC6A4 Inhibitor +Vortioxetine inhibitor 6532 SLC6A4 Inhibitor +Dosulepin inhibitor 6532 SLC6A4 Inhibitor +Desipramine inhibitor 6532 SLC6A4 Inhibitor +Tramadol inhibitor 6532 SLC6A4 Inhibitor +Mazindol inhibitor 6532 SLC6A4 Inhibitor +Imipramine inhibitor 6532 SLC6A4 Inhibitor +Desvenlafaxine inhibitor 6532 SLC6A4 Inhibitor +Clomipramine inhibitor 6532 SLC6A4 Inhibitor +Milnacipran inhibitor 6532 SLC6A4 Inhibitor +Protriptyline inhibitor 6532 SLC6A4 Inhibitor +Cocaine inhibitor 6532 SLC6A4 Inhibitor +Sertraline inhibitor|binder|downregulator 6532 SLC6A4 Inhibitor +Lorpiprazole antagonist 6532 SLC6A4 Inhibitor +Citalopram inhibitor 6532 SLC6A4 Inhibitor +Trimipramine inhibitor 6532 SLC6A4 Inhibitor +Pseudoephedrine inhibitor 6532 SLC6A4 Inhibitor +Phentermine inhibitor 6532 SLC6A4 Inhibitor +Doxepin inhibitor 6532 SLC6A4 Inhibitor +Lumateperone inhibitor 6532 SLC6A4 Inhibitor +Paroxetine inhibitor 6532 SLC6A4 Inhibitor +Duloxetine inhibitor 6532 SLC6A4 Inhibitor +Trazodone inhibitor 6532 SLC6A4 Inhibitor +Fluoxetine inhibitor 6532 SLC6A4 Inhibitor +Nortriptyline inhibitor 6532 SLC6A4 Inhibitor +Creatine unknown 6535 SLC6A8 other +Icosapent inhibitor 6546 SLC8A1 Inhibitor +Dronedarone inhibitor 6546 SLC8A1 Inhibitor +Tenapanor inhibitor 6550 SLC9A3 Inhibitor +Bulevirtide inhibitor 6554 SLC10A1 Inhibitor +Maralixibat inhibitor 6555 SLC10A2 Inhibitor +Odevixibat inhibitor 6555 SLC10A2 Inhibitor +Torasemide inhibitor 6557 SLC12A1 Inhibitor +Furosemide inhibitor 6557 SLC12A1 Inhibitor +Bumetanide inhibitor 6557 SLC12A1 Inhibitor +Chlorthalidone inhibitor 6557 SLC12A1 Inhibitor +Quinethazone inhibitor 6557 SLC12A1 Inhibitor +Etacrynic acid inhibitor 6557 SLC12A1 Inhibitor +Torasemide inhibitor 6558 SLC12A2 Inhibitor +Bumetanide inhibitor 6558 SLC12A2 Inhibitor +Quinethazone inhibitor 6558 SLC12A2 Inhibitor +Benzthiazide inhibitor 6559 SLC12A3 Inhibitor +Hydrochlorothiazide inhibitor 6559 SLC12A3 Inhibitor +Quinethazone inhibitor 6559 SLC12A3 Inhibitor +Metolazone inhibitor 6559 SLC12A3 Inhibitor +Bendroflumethiazide inhibitor 6559 SLC12A3 Inhibitor +Indapamide inhibitor 6559 SLC12A3 Inhibitor +Polythiazide inhibitor 6559 SLC12A3 Inhibitor +Trichlormethiazide inhibitor 6559 SLC12A3 Inhibitor +Chlorothiazide inhibitor 6559 SLC12A3 Inhibitor +Bumetanide inhibitor 6560 SLC12A4 Inhibitor +Isometheptene inhibitor 6571 SLC18A2 Inhibitor +Amphetamine inhibitor 6571 SLC18A2 Inhibitor +Deutetrabenazine inhibitor 6571 SLC18A2 Inhibitor +Propylhexedrine unknown 6571 SLC18A2 other +Benzphetamine inducer 6571 SLC18A2 Activator +Dextroamphetamine inducer 6571 SLC18A2 Activator +Deserpidine inhibitor 6571 SLC18A2 Inhibitor +Tetrabenazine inhibitor 6571 SLC18A2 Inhibitor +Nusinersen antisense oligonucleotide 6606 SMN1 Activator +Vismodegib antagonist 6608 SMO Inhibitor +Glasdegib inhibitor 6608 SMO Inhibitor +Letibotulinumtoxina cleavage 6616 SNAP25 Inhibitor +Botulinum toxin type A inhibitor 6616 SNAP25 Inhibitor +Ezetimibe inhibitor 6646 SOAT1 Inhibitor +Butenafine inhibitor 6713 SQLE Inhibitor +Naftifine inhibitor 6713 SQLE Inhibitor +Dasatinib multitarget 6714 SRC Inhibitor +Tirbanibulin inhibitor 6714 SRC Inhibitor +Norgestrel inhibitor 6715 SRD5A1 Inhibitor +Dutasteride inhibitor 6715 SRD5A1 Inhibitor +Levonorgestrel inhibitor 6715 SRD5A1 Inhibitor +Finasteride inhibitor 6716 SRD5A2 Inhibitor +Dutasteride inhibitor 6716 SRD5A2 Inhibitor +Azelaic acid inhibitor 6716 SRD5A2 Inhibitor +Azelaic acid inhibitor 6718 AKR1D1 Inhibitor +Lutetium Lu 177 dotatate agonist 6751 SSTR1 Activator +Edotreotide gallium Ga-68 ligand 6751 SSTR1 Ligand +Somatostatin agonist 6751 SSTR1 Activator +Lutetium Lu 177 dotatate agonist 6752 SSTR2 Activator +Edotreotide gallium Ga-68 ligand 6752 SSTR2 Ligand +Copper oxodotreotide Cu-64 binder 6752 SSTR2 Ligand +Somatostatin agonist 6752 SSTR2 Activator +Dotatate gallium Ga-68 binder 6752 SSTR2 Ligand +Somatostatin agonist 6753 SSTR3 Activator +Edotreotide gallium Ga-68 ligand 6753 SSTR3 Ligand +Lutetium Lu 177 dotatate agonist 6753 SSTR3 Activator +Lutetium Lu 177 dotatate agonist 6754 SSTR4 Activator +Somatostatin agonist 6754 SSTR4 Activator +Somatostatin agonist 6755 SSTR5 Activator +Edotreotide gallium Ga-68 ligand 6755 SSTR5 Ligand +Lutetium Lu 177 dotatate agonist 6755 SSTR5 Activator +Omega-3-carboxylic acids potentiator 6785 ELOVL4 Activator +Glipizide inhibitor 6833 ABCC8 Inhibitor +Glimepiride inducer 6833 ABCC8 Activator +Gliquidone inhibitor 6833 ABCC8 Inhibitor +Gliclazide binder 6833 ABCC8 Ligand +Chlorpropamide inhibitor 6833 ABCC8 Inhibitor +Repaglinide inhibitor 6833 ABCC8 Inhibitor +Tolbutamide inhibitor 6833 ABCC8 Inhibitor +Nateglinide inhibitor 6833 ABCC8 Inhibitor +Botulinum toxin type B binder 6843 VAMP1 Ligand +Botulinum toxin type B binder 6844 VAMP2 Ligand +Fostamatinib inhibitor 6850 SYK Inhibitor +Fosnetupitant antagonist 6869 TACR1 Inhibitor +Aprepitant antagonist 6869 TACR1 Inhibitor +Rolapitant antagonist 6869 TACR1 Inhibitor +Netupitant antagonist 6869 TACR1 Inhibitor +Ripretinib inhibitor 7010 TEK Inhibitor +Regorafenib inhibitor 7010 TEK Inhibitor +Dalteparin inhibitor 7035 TFPI Inhibitor +Andexanet alfa inhibitor 7035 TFPI Inhibitor +Ferric cation agonist 7037 TFRC Activator +Tetraferric tricitrate decahydrate ligand 7037 TFRC Ligand +Terazosin inducer 7040 TGFB1 Activator +Foreskin keratinocyte (neonatal) agonist 7040 TGFB1 Activator +Foreskin keratinocyte (neonatal) agonist 7048 TGFBR2 Activator +Metyrosine binder 7054 TH Ligand +Sapropterin cofactor 7054 TH other +Liotrix agonist 7067 THRA Activator +Liothyronine agonist 7067 THRA Activator +Dextrothyroxine agonist 7067 THRA Activator +Levothyroxine agonist 7067 THRA Activator +Levothyroxine agonist 7068 THRB Activator +Liotrix agonist 7068 THRB Activator +Dextrothyroxine agonist 7068 THRB Activator +Liothyronine agonist 7068 THRB Activator +Brivudine substrate 7084 TK2 Activator +Adapalene antagonist 7097 TLR2 Inhibitor +Tuberculin purified protein derivative ligand 7097 TLR2 Ligand +Mifamurtide ligand 7099 TLR4 Ligand +Pomalidomide inhibitor 7124 TNF Inhibitor +Glycyrrhizic acid antagonist 7124 TNF Inhibitor +Golimumab antibody 7124 TNF Modulator +Foreskin keratinocyte (neonatal) agonist 7124 TNF Activator +Adalimumab inhibitor|antibody 7124 TNF Inhibitor +Infliximab inhibitor 7124 TNF Inhibitor +Etanercept inhibitor|antibody 7124 TNF Inhibitor +Certolizumab pegol neutralizer 7124 TNF other +Tasonermin agonist 7132 TNFRSF1A Activator +Levosimendan potentiator 7134 TNNC1 Activator +Sacituzumab govitecan inhibitor 7150 TOP1 Inhibitor +Trastuzumab deruxtecan inhibitor 7150 TOP1 Inhibitor +Topotecan inhibitor 7150 TOP1 Inhibitor +Doxorubicin inhibitor 7150 TOP1 Inhibitor +Sodium stibogluconate inhibitor 7150 TOP1 Inhibitor +Irinotecan inhibitor 7150 TOP1 Inhibitor +Amsacrine inhibitor 7153 TOP2A Inhibitor +Idarubicin inhibitor 7153 TOP2A Inhibitor +Finafloxacin inhibitor 7153 TOP2A Inhibitor +Mitoxantrone inhibitor 7153 TOP2A Inhibitor +Teniposide inhibitor 7153 TOP2A Inhibitor +Etoposide inhibitor 7153 TOP2A Inhibitor +Doxorubicin inhibitor 7153 TOP2A Inhibitor +Podofilox inhibitor 7153 TOP2A Inhibitor +Daunorubicin inhibitor 7153 TOP2A Inhibitor +Valrubicin inhibitor 7153 TOP2A Inhibitor +Doxorubicin inhibitor 7155 TOP2B Inhibitor +Daunorubicin inhibitor 7155 TOP2B Inhibitor +Telotristat ethyl antagonist 7166 TPH1 Inhibitor +Sapropterin cofactor 7166 TPH1 other +Olsalazine inhibitor 7172 TPMT Inhibitor +Carbimazole inhibitor 7173 TPO Inhibitor +Propylthiouracil inhibitor 7173 TPO Inhibitor +Methimazole substrate|inhibitor 7173 TPO Activator +Protirelin ligand 7201 TRHR Ligand +Thyrotropin alfa agonist 7253 TSHR Activator +Tafamidis chaperone 7276 TTR other +Cabazitaxel binder 7277 TUBA4A Ligand +Podofilox inhibitor 7277 TUBA4A Inhibitor +Vinblastine binder 7283 TUBG1 Ligand +Arsenic trioxide inhibitor 7296 TXNRD1 Inhibitor +Ruxolitinib inhibitor 7297 TYK2 Inhibitor +Deucravacitinib inhibitor 7297 TYK2 Inhibitor +Tegafur-uracil antagonist 7298 TYMS Inhibitor +Capecitabine inhibitor 7298 TYMS Inhibitor +Methotrexate inhibitor 7298 TYMS Inhibitor +Tegafur inhibitor 7298 TYMS Inhibitor +Trifluridine inhibitor 7298 TYMS Inhibitor +Pemetrexed inhibitor 7298 TYMS Inhibitor +Fluorouracil unknown 7298 TYMS other +Floxuridine unknown 7298 TYMS other +Raltitrexed inhibitor 7298 TYMS Inhibitor +Hydroquinone inhibitor 7299 TYR Inhibitor +Azelaic acid inhibitor 7299 TYR Inhibitor +Arbutin inhibitor 7299 TYR Inhibitor +Miglustat inhibitor 7357 UGCG Inhibitor +Eliglustat inhibitor 7357 UGCG Inhibitor +Alfacalcidol agonist 7421 VDR Activator +Ergocalciferol agonist 7421 VDR Activator +Calcitriol antagonist 7421 VDR Inhibitor +Cholecalciferol agonist 7421 VDR Activator +Dihydrotachysterol agonist 7421 VDR Activator +Paricalcitol agonist 7421 VDR Activator +Calcifediol agonist 7421 VDR Activator +Pegaptanib antagonist 7422 VEGFA Inhibitor +Ranibizumab antibody 7422 VEGFA Modulator +Aflibercept binder 7422 VEGFA Ligand +Brolucizumab inhibitor 7422 VEGFA Inhibitor +Faricimab antagonist 7422 VEGFA Inhibitor +Bevacizumab unknown 7422 VEGFA other +Foreskin keratinocyte (neonatal) agonist 7422 VEGFA Activator +Dalteparin inhibitor 7422 VEGFA Inhibitor +Aflibercept binder 7423 VEGFB Ligand +Capsaicin agonist|regulator 7442 TRPV1 Activator +alpha-Linolenic acid inhibitor 7442 TRPV1 Inhibitor +Capsicum oleoresin agonist|activator 7442 TRPV1 Activator +Zucapsaicin agonist|activator 7442 TRPV1 Activator +"Antihemophilic factor, human recombinant" binder 7450 VWF Ligand +Efmoroctocog alfa binding 7450 VWF Ligand +Moroctocog alfa binder 7450 VWF Ligand +Simoctocog alfa binding 7450 VWF Ligand +Rurioctocog alfa pegol binder 7450 VWF Ligand +Turoctocog alfa pegol binder 7450 VWF Ligand +"Antihemophilic factor (recombinant), PEGylated" binder 7450 VWF Ligand +Lonoctocog alfa binder 7450 VWF Ligand +Susoctocog alfa binding 7450 VWF Ligand +Allopurinol inhibitor 7498 XDH Inhibitor +Febuxostat inhibitor 7498 XDH Inhibitor +Selinexor inhibitor 7514 XPO1 Inhibitor +Dasatinib inhibitor 7525 YES1 Inhibitor +Vinblastine binder 7846 TUBA1A Ligand +Mebendazole inhibitor 7846 TUBA1A Inhibitor +Plerixafor antagonist|inhibitor 7852 CXCR4 Activator +Taurine agonist 8001 GLRA3 Activator +Agkistrodon piscivorus antivenin antagonist 8399 PLA2G10 Inhibitor +Crotalus adamanteus antivenin antagonist 8399 PLA2G10 Inhibitor +Orlistat inhibitor 8513 LIPF Inhibitor +Pyridoxine ligand 8566 PDXK Ligand +Lenalidomide inhibitor 8600 TNFSF11 Inhibitor +Denosumab antibody 8600 TNFSF11 Modulator +Hydralazine inhibitor 8639 AOC3 Inhibitor +Theophylline inhibitor 8654 PDE5A Inhibitor +Tadalafil inhibitor 8654 PDE5A Inhibitor +Avanafil inhibitor 8654 PDE5A Inhibitor +Vardenafil inhibitor 8654 PDE5A Inhibitor +Sildenafil inhibitor 8654 PDE5A Inhibitor +Dipyridamole inhibitor 8654 PDE5A Inhibitor +Udenafil inhibitor 8654 PDE5A Inhibitor +Spesolimab antagonist 8808 IL1RL2 Inhibitor +Vorinostat inhibitor 8841 HDAC3 Inhibitor +Niacin agonist 8843 HCAR3 Activator +Erlotinib agonist 8856 NR1I2 Activator +Amlodipine inhibitor 8911 CACNA1I Inhibitor +Paramethadione inhibitor 8911 CACNA1I Inhibitor +Cinnarizine inhibitor 8911 CACNA1I Inhibitor +Zonisamide inhibitor 8911 CACNA1I Inhibitor +Flunarizine inhibitor 8911 CACNA1I Inhibitor +Isradipine inhibitor 8912 CACNA1H Inhibitor +Zonisamide inhibitor 8912 CACNA1H Inhibitor +Cinnarizine inhibitor 8912 CACNA1H Inhibitor +Flunarizine inhibitor 8912 CACNA1H Inhibitor +Methsuximide inhibitor 8913 CACNA1G Inhibitor +Ethosuximide inhibitor 8913 CACNA1G Inhibitor +Flunarizine inhibitor 8913 CACNA1G Inhibitor +Cinnarizine inhibitor 8913 CACNA1G Inhibitor +Trimethadione inhibitor 8913 CACNA1G Inhibitor +Zonisamide inhibitor 8913 CACNA1G Inhibitor +Acarbose inhibitor 8972 MGAM Inhibitor +Miglitol antagonist|inhibitor 8972 MGAM Activator +Levomenthol inducer 8989 TRPA1 Activator +Fluciclovine (18F) binder 9056 SLC7A7 Ligand +Isradipine inhibitor 9254 CACNA2D2 Inhibitor +Dalfampridine antagonist 9312 KCNB2 Inhibitor +Teduglutide agonist 9340 GLP2R Activator +Probenecid inhibitor 9356 SLC22A6 Inhibitor +Probenecid inhibitor 9376 SLC22A8 Inhibitor +alpha-Linolenic acid ligand 9415 FADS2 Ligand +Zoledronic acid inhibitor 9453 GGPS1 Inhibitor +Ibandronate inhibitor 9453 GGPS1 Inhibitor +Netarsudil inhibitor 9475 ROCK2 Inhibitor +Belumosudil inhibitor 9475 ROCK2 Inhibitor +Baclofen agonist 9568 GABBR2 Activator +Amphetamine agonist 9607 CARTPT Activator +Valproic acid inhibitor 9734 HDAC9 Inhibitor +Dimethyl fumarate binder 9817 KEAP1 Ligand +Brivaracetam unknown 9900 SV2A other +Levetiracetam agonist 9900 SV2A Activator +Obeticholic acid agonist 9971 NR1H4 Activator +Vorinostat inhibitor 10013 HDAC6 Inhibitor +Talazoparib inhibitor 10038 PARP2 Inhibitor +Rucaparib inhibitor 10038 PARP2 Inhibitor +Olaparib inhibitor 10038 PARP2 Inhibitor +Niraparib inhibitor 10038 PARP2 Inhibitor +Olaparib inhibitor 10039 PARP3 Inhibitor +Rucaparib inhibitor 10039 PARP3 Inhibitor +Nicorandil activator 10060 ABCC9 Activator +Cyclosporine binder 10105 PPIF Ligand +Rimegepant antagonist 10203 CALCRL Inhibitor +Ubrogepant antagonist 10203 CALCRL Inhibitor +Atogepant antagonist 10203 CALCRL Inhibitor +Galsulfase unknown 10226 PLIN3 other +Pramlintide agonist 10266 RAMP2 Activator +Pramlintide agonist 10267 RAMP1 Activator +Pramlintide agonist 10268 RAMP3 Activator +Dextromethorphan agonist 10280 SIGMAR1 Activator +Pentazocine agonist 10280 SIGMAR1 Activator +Ixabepilone inhibitor 10381 TUBB3 Inhibitor +Mebendazole inhibitor 10383 TUBB4B Inhibitor +Tetradecyl hydrogen sulfate (ester) antagonist 10544 PROCR Inhibitor +Belimumab antibody 10673 TNFSF13B Modulator +Zafirlukast antagonist 10800 CYSLTR1 Inhibitor +Montelukast antagonist 10800 CYSLTR1 Inhibitor +Nedocromil antagonist 10800 CYSLTR1 Inhibitor +Triflusal antagonist 10846 PDE10A Inhibitor +Dipyridamole inhibitor 10846 PDE10A Inhibitor +Moxonidine agonist 11188 NISCH Activator +Betahistine antagonist 11255 HRH3 Inhibitor +Histamine agonist 11255 HRH3 Activator +Pitolisant antagonist|inverse agonist 11255 HRH3 Activator +Zonisamide inhibitor 11280 SCN11A Inhibitor +Miglitol antagonist 23193 GANAB Inhibitor +Niacin binder 23475 QPRT Ligand +Levocabastine partial antagonist 23620 NTSR2 Activator +Acetazolamide inhibitor 23632 CA14 Inhibitor +Acetylcysteine activator 23657 SLC7A11 Activator +Riluzole inducer 23657 SLC7A11 Activator +Auranofin inhibitor 25824 PRDX5 Inhibitor +Thiamine substrate 27010 TPK1 Activator +Isoflurane inhibitor 27032 ATP2C1 Inhibitor +Evinacumab inhibitor|binder|antibody 27329 ANGPTL3 Inhibitor +Durvalumab inhibitor|antibody 29126 CD274 Inhibitor +Atezolizumab inhibitor|antibody 29126 CD274 Inhibitor +Avelumab inhibitor|antibody 29126 CD274 Inhibitor +Ezetimibe inhibitor 29881 NPC1L1 Inhibitor +Cladribine inhibitor 50484 RRM2B Inhibitor +Trifluoperazine antagonist 50632 CALY Inhibitor +Romosozumab inhibitor 50964 SOST Inhibitor +Vinblastine binder 51174 TUBD1 Ligand +Vinblastine binder 51175 TUBE1 Ligand +Lenalidomide inhibitor 51185 CRBN Inhibitor +Pomalidomide inhibitor 51185 CRBN Inhibitor +Imiquimod agonist 51284 TLR7 Activator +Hydroxychloroquine antagonist 51284 TLR7 Inhibitor +Halothane binder 51305 KCNK9 Ligand +Doxapram inhibitor 51305 KCNK9 Inhibitor +Guselkumab blocker 51561 IL23A Inhibitor +Ozanimod agonist 53637 S1PR5 Activator +Fingolimod modulator 53637 S1PR5 Inhibitor +Hydroxychloroquine antagonist 54106 TLR9 Inhibitor +Cladribine inhibitor 54107 POLE3 Inhibitor +Lumasiran antisense oligonucleotide 54363 HAO1 Activator +Roxadustat inhibitor 54583 EGLN1 Inhibitor +Masoprocol inhibitor 54822 TRPM7 Inhibitor +Crofelemer antagonist 55107 ANO1 Inhibitor +Riboflavin ligand 55312 RFK Ligand +Zonisamide inhibitor 55800 SCN3B Inhibitor +Lesinurad inhibitor 55867 SLC22A11 Inhibitor +Probenecid inhibitor 55867 SLC22A11 Inhibitor +Cladribine inhibitor 56655 POLE4 Inhibitor +Trimethaphan antagonist 57053 CHRNA10 Inhibitor +Pentolinium antagonist 57053 CHRNA10 Inhibitor +Nedocromil antagonist 57105 CYSLTR2 Inhibitor +Bumetanide inhibitor 57468 SLC12A5 Inhibitor +Elotuzumab modulator 57823 SLAMF7 Inhibitor +Pheniramine inverse agonist 59340 HRH4 Modulator +Mifamurtide ligand 64127 NOD2 Ligand +Ticagrelor inhibitor 64805 P2RY12 Inhibitor +Cangrelor inhibitor 64805 P2RY12 Inhibitor +Ticlopidine antagonist 64805 P2RY12 Inhibitor +Epoprostenol agonist 64805 P2RY12 Activator +Clopidogrel antagonist 64805 P2RY12 Inhibitor +Prasugrel antagonist 64805 P2RY12 Inhibitor +Phenindione inhibitor 79001 VKORC1 Inhibitor +Dicoumarol inhibitor 79001 VKORC1 Inhibitor +Acenocoumarol inhibitor 79001 VKORC1 Inhibitor +Warfarin inhibitor 79001 VKORC1 Inhibitor +Menadione cofactor 79001 VKORC1 other +Phenprocoumon inhibitor 79001 VKORC1 Inhibitor +Levomenthol inducer 79054 TRPM8 Activator +gamma-Hydroxybutyric acid agonist 79581 SLC52A2 Activator +Sevoflurane activator 79714 CCDC51 Activator +Docetaxel unknown 81027 TUBB1 other +Cabazitaxel binder 81027 TUBB1 Ligand +Vindesine inhibitor 81027 TUBB1 Inhibitor +Paclitaxel inhibitor 81027 TUBB1 Inhibitor +Omega-3-carboxylic acids antagonist 84649 DGAT2 Inhibitor +Fish oil agonist 84649 DGAT2 Activator +Fluciclovine (18F) binder 84889 SLC7A3 Ligand +Tezepelumab binder|antibody 85480 TSLP Inhibitor +Methadone agonist 89832 CHRFAM7A Activator +Galantamine allosteric modulator 89832 CHRFAM7A Modulator +Nicotine agonist 89832 CHRFAM7A Activator +Roxadustat inhibitor 112398 EGLN2 Inhibitor +Roxadustat inhibitor 112399 EGLN3 Inhibitor +Bimekizumab antibody 112744 IL17F Modulator +Lesinurad inhibitor 116085 SLC22A12 Inhibitor +Sulfinpyrazone inhibitor 116085 SLC22A12 Inhibitor +Ethanol antagonist 116443 GRIN3A Inhibitor +Profenamine antagonist 116443 GRIN3A Inhibitor +Ketamine antagonist 116443 GRIN3A Inhibitor +Procaine antagonist 116443 GRIN3A Inhibitor +Dextromethorphan antagonist 116443 GRIN3A Inhibitor +Orphenadrine antagonist 116443 GRIN3A Inhibitor +Amantadine antagonist 116443 GRIN3A Inhibitor +Orphenadrine antagonist 116444 GRIN3B Inhibitor +Irinotecan inhibitor 116447 TOP1MT Inhibitor +Telotristat ethyl antagonist 121278 TPH2 Inhibitor +Botulinum toxin type B unknown 127833 SYT2 other +Amphetamine agonist 134864 TAAR1 Activator +Menadione cofactor 154807 VKORC1L1 other +Levomenthol inducer 162514 TRPV3 Activator +Vincristine inhibitor 203068 TUBB Inhibitor +Podofilox inhibitor 203068 TUBB Inhibitor +Vinblastine binder 203068 TUBB Ligand +Tirbanibulin inhibitor 203068 TUBB Inhibitor +Vinflunine inhibitor 203068 TUBB Inhibitor +Colchicine inhibitor|binder 203068 TUBB Inhibitor +Vinorelbine antagonist|inhibitor 203068 TUBB Activator +Inclisiran antisense oligonucleotide 255738 PCSK9 Activator +Alirocumab inhibitor 255738 PCSK9 Inhibitor +Evolocumab inhibitor 255738 PCSK9 Inhibitor +Niacin agonist 338442 HCAR2 Activator +Fish oil agonist|inhibits downstream inflammation cascades 338557 FFAR4 Activator +Creatine ligand 548596 CKMT1A Ligand diff --git a/examples/fanconi_anemia/resources/drugbank-v050110_mostdrugeffects_KDTs.tsv b/examples/fanconi_anemia/resources/drugbank-v050110_mostdrugeffects_KDTs.tsv new file mode 100644 index 00000000..863a001e --- /dev/null +++ b/examples/fanconi_anemia/resources/drugbank-v050110_mostdrugeffects_KDTs.tsv @@ -0,0 +1,744 @@ +gene drug_action +ABAT Inhibitor +ABCA1 Inhibitor +ABCC1 Inhibitor +ABCC2 Inhibitor +ABCC8 Inhibitor +ABCC9 Activator +ABL1 Inhibitor +ACAT1 Inhibitor +ACE Inhibitor +ACHE Inhibitor +ACLY Inhibitor +ACP3 other +ACTN1 other +ADA Inhibitor +ADH1A Inhibitor +ADH1B Inhibitor +ADH1C Inhibitor +ADORA1 Inhibitor +ADORA2A Inhibitor +ADORA2B Inhibitor +ADORA3 Inhibitor +ADRA1A Activator +ADRA1B Inhibitor +ADRA1D Inhibitor +ADRA2A Activator +ADRA2B Activator +ADRA2C Activator +ADRB1 Inhibitor +ADRB2 Activator +ADRB3 Activator +AGTR1 Inhibitor +AHR Activator +AKR1B1 Inhibitor +AKR1C2 Activator +AKR1D1 Inhibitor +ALAD Activator +ALB Ligand +ALDH2 Inhibitor +ALK Inhibitor +ALOX5 Inhibitor +ALPG Activator +AMY2A Inhibitor +ANGPT2 Inhibitor +ANGPTL3 Inhibitor +ANO1 Inhibitor +ANXA1 other +ANXA2 Activator +ANXA3 Activator +ANXA4 Activator +ANXA5 Activator +AOC3 Inhibitor +APOC3 Activator +APP Ligand +AR Activator +ATIC Inhibitor +ATP1A1 Inhibitor +ATP2C1 Inhibitor +ATP4A Inhibitor +ATP4B Inhibitor +ATP6V1B2 Inhibitor +ATP6V1C1 Inhibitor +AVPR1A Activator +AVPR1B Activator +AVPR2 Activator +AXL Inhibitor +BCHE Inhibitor +BCL2 Activator +BCR Inhibitor +BDKRB2 Inhibitor +BGLAP Inhibitor +BHMT Activator +BLVRB other +BMPR1A Ligand +BMPR2 Ligand +BRAF Inhibitor +BST1 other +BTK Inhibitor +C1R Inhibitor +C1S Inhibitor +C3 Inhibitor +C4A Ligand +C4B Ligand +C5 Inhibitor +C5AR1 Inhibitor +CA1 Inhibitor +CA12 Inhibitor +CA14 Inhibitor +CA2 Inhibitor +CA3 Inhibitor +CA4 Inhibitor +CA7 Inhibitor +CACNA1B Inhibitor +CACNA1C Inhibitor +CACNA1D Inhibitor +CACNA1E Inhibitor +CACNA1F Inhibitor +CACNA1G Inhibitor +CACNA1H Inhibitor +CACNA1I Inhibitor +CACNA1S Inhibitor +CACNA2D1 Inhibitor +CACNA2D2 Inhibitor +CACNB1 Inhibitor +CACNB2 Inhibitor +CACNB3 Inhibitor +CACNB4 Inhibitor +CACNG1 Inhibitor +CALCA Inhibitor +CALCB Inhibitor +CALCR Activator +CALCRL Inhibitor +CALM1 Inhibitor +CALM2 Inhibitor +CALY Inhibitor +CAMLG Ligand +CARTPT Activator +CASP3 Inhibitor +CASR Activator +CAT Inhibitor +CCDC51 Activator +CCKAR Activator +CCKBR Activator +CCND1 Inhibitor +CCR4 Inhibitor +CCR5 Activator +CD19 Ligand +CD22 Inhibitor +CD247 other +CD274 Inhibitor +CD33 Inhibitor +CD3D Activator +CD3E Ligand +CD3G other +CD4 other +CD44 Ligand +CD52 Modulator +CD79B Modulator +CD80 Inhibitor +CD86 Inhibitor +CDA Inhibitor +CDK4 Inhibitor +CDK6 Inhibitor +CFTR Inhibitor +CHRFAM7A Activator +CHRM1 Inhibitor +CHRM2 Inhibitor +CHRM3 Inhibitor +CHRM4 Inhibitor +CHRM5 Inhibitor +CHRNA10 Inhibitor +CHRNA2 Inhibitor +CHRNA3 Inhibitor +CHRNA4 Activator +CHRNA7 Activator +CHRNB2 Activator +CHRNB4 Inhibitor +CKB Ligand +CKM Ligand +CKMT1A Ligand +CKMT1B Ligand +CKMT2 Ligand +CLCN2 Activator +CNR1 Activator +CNR2 Activator +COL1A1 Ligand +COL2A1 Ligand +COL3A1 Ligand +COMT Inhibitor +CPB2 Activator +CPS1 Modulator +CPT1A Inhibitor +CPT2 Inhibitor +CRBN Inhibitor +CSF1R Inhibitor +CSF2RA Activator +CSF2RB Activator +CSF3R Activator +CTLA4 Inhibitor +CXCR4 Activator +CYP11A1 Inhibitor +CYP11B1 Inhibitor +CYP11B2 Inhibitor +CYP17A1 Inhibitor +CYP19A1 Inhibitor +CYP3A4 Activator +CYP51A1 Inhibitor +CYSLTR1 Inhibitor +CYSLTR2 Inhibitor +DBH Inhibitor +DCK Activator +DDC Inhibitor +DDR2 Inhibitor +DGAT2 Activator +DHFR Inhibitor +DHODH Inhibitor +DMD Activator +DNMT1 Inhibitor +DPEP1 Inhibitor +DPP4 Inhibitor +DPYD Inhibitor +DRD1 Inhibitor +DRD2 Inhibitor +DRD3 Activator +DRD4 Activator +DRD5 Activator +ECHS1 Activator +EDNRA Inhibitor +EDNRB Inhibitor +EEF2 Activator +EGF Activator +EGFR Inhibitor +EGLN1 Inhibitor +EGLN2 Inhibitor +EGLN3 Inhibitor +ELANE Inhibitor +ELOVL4 Activator +EPAS1 Inhibitor +EPHA2 Inhibitor +EPOR Activator +ERBB2 Inhibitor +ERBB4 Inhibitor +ESR1 Activator +ESR2 Activator +ETFDH Inhibitor +EZH2 Inhibitor +F10 Activator +F11 Activator +F12 Inhibitor +F13A1 Activator +F13B Activator +F2 Inhibitor +F2R Inhibitor +F3 Activator +F5 Activator +F7 Ligand +F8 Activator +F9 Activator +FABP7 Activator +FADS1 Ligand +FADS2 Ligand +FCER1A Activator +FCER1G Activator +FCGR1A Inhibitor +FCGR2A Inhibitor +FCGR2B Inhibitor +FCGR3A Activator +FCGR3B Inhibitor +FCGRT Ligand +FDPS Inhibitor +FFAR1 Activator +FFAR4 Activator +FGA Activator +FGB Activator +FGF1 Activator +FGF2 Activator +FGFR1 Inhibitor +FGFR2 Inhibitor +FGFR3 Inhibitor +FGFR4 Inhibitor +FGG Activator +FKBP1A Inhibitor +FLT1 Inhibitor +FLT3 Inhibitor +FLT4 Inhibitor +FN1 Inhibitor +FNTA Inhibitor +FNTB Inhibitor +FOLH1 Ligand +FOLR1 Ligand +FPGS Activator +FRK Inhibitor +FSHR Activator +FTH1 Ligand +FTL Ligand +FXYD2 Inhibitor +GAA Inhibitor +GABBR1 Activator +GABBR2 Activator +GABRA1 Activator +GABRA2 Activator +GABRA3 Activator +GABRA4 Activator +GABRA5 Activator +GABRA6 Activator +GABRB1 Activator +GABRB2 Activator +GABRB3 Activator +GABRG2 Inhibitor +GAMT other +GANAB Inhibitor +GANC Inhibitor +GART Inhibitor +GAST Inhibitor +GCGR Activator +GGCX Activator +GGPS1 Inhibitor +GHR Ligand +GHRHR Ligand +GIP Activator +GLP1R Activator +GLP2R Activator +GLRA1 Activator +GLRA2 Activator +GLRA3 Activator +GNRHR Inhibitor +GRIA1 Inhibitor +GRIN1 Inhibitor +GRIN2A Inhibitor +GRIN2B Inhibitor +GRIN2D Inhibitor +GRIN3A Inhibitor +GRIN3B Inhibitor +GRM5 Inhibitor +GSR Inhibitor +GSS Activator +GUCY1A2 Activator +GUCY1B1 Activator +GUCY2C Activator +HADH Activator +HAO1 Activator +HBA1 Ligand +HBA2 Ligand +HBB Activator +HCAR2 Activator +HCAR3 Activator +HCRTR1 Inhibitor +HCRTR2 Inhibitor +HDAC1 Activator +HDAC2 Activator +HDAC3 Inhibitor +HDAC6 Inhibitor +HDAC9 Inhibitor +HMGCR Inhibitor +HMMR Ligand +HPD Inhibitor +HPRT1 Inhibitor +HRH1 Inhibitor +HRH2 Inhibitor +HRH3 Activator +HRH4 Modulator +HSD11B1 Inhibitor +HSD17B10 Activator +HTR1A Activator +HTR1B Activator +HTR1D Activator +HTR1F Activator +HTR2A Inhibitor +HTR2B Inhibitor +HTR2C Inhibitor +HTR3A Inhibitor +HTR4 Activator +HTR7 Inhibitor +ICAM1 Inhibitor +IDE Inhibitor +IDH1 Inhibitor +IDH2 Inhibitor +IFNAR1 Activator +IFNAR2 Activator +IFNG other +IFNGR1 Ligand +IFNGR2 Ligand +IGF1R Activator +IKBKB Activator +IL11RA Activator +IL12B Inhibitor +IL13 Inhibitor +IL17A Modulator +IL17F Modulator +IL1B Activator +IL1R1 Inhibitor +IL1RL2 Inhibitor +IL23A Inhibitor +IL2RA Activator +IL2RB Activator +IL2RG Activator +IL3RA Activator +IL4 Inhibitor +IL4R Inhibitor +IL5 Activator +IL5RA Modulator +IL6 Activator +IL6R Inhibitor +IMPDH1 Inhibitor +IMPDH2 Inhibitor +INSR Activator +ITGA2B Inhibitor +ITGA4 Modulator +ITGAL Inhibitor +ITGAV other +ITGB1 other +ITGB3 other +ITGB7 Modulator +JAK1 Inhibitor +JAK2 Inhibitor +JAK3 Inhibitor +JUN Activator +KCNA1 Activator +KCNA10 Inhibitor +KCNA2 Inhibitor +KCNA3 Inhibitor +KCNA4 Inhibitor +KCNA5 Inhibitor +KCNA6 Inhibitor +KCNA7 Inhibitor +KCNB1 Inhibitor +KCNB2 Inhibitor +KCNC1 Inhibitor +KCNC2 Inhibitor +KCNC3 Inhibitor +KCND1 Inhibitor +KCND2 Inhibitor +KCND3 Inhibitor +KCNH2 Inhibitor +KCNJ1 Inhibitor +KCNJ11 Activator +KCNJ12 Inhibitor +KCNJ3 Inhibitor +KCNJ8 Inhibitor +KCNK2 Inhibitor +KCNK3 Inhibitor +KCNK9 Inhibitor +KCNMA1 Activator +KCNN4 Inhibitor +KCNQ1 Inhibitor +KDR Inhibitor +KEAP1 Ligand +KIT Inhibitor +KLK3 Ligand +KLKB1 Inhibitor +KRAS Inhibitor +KRT12 Inhibitor +KRT2 Inhibitor +LAG3 Modulator +LCK Inhibitor +LDHA Inhibitor +LDHB Inhibitor +LEPR Activator +LHCGR other +LIPF Inhibitor +LPL Activator +LTA Modulator +M6PR Ligand +MAOA Inhibitor +MAOB Inhibitor +MAP1A Inhibitor +MAP2 other +MAP2K1 Inhibitor +MAP2K2 Inhibitor +MAP3K1 Inhibitor +MAP4 other +MAPK1 Activator +MAPK11 Inhibitor +MAPK3 Activator +MAPT other +MB Inhibitor +MC1R Activator +MC2R Activator +MC4R Activator +MET Inhibitor +MGAM Activator +MME Activator +MMUT other +MOCS2 Activator +MPL Activator +MR1 Inhibitor +MRC1 Ligand +MS4A1 Inhibitor +MS4A2 Inhibitor +MST1R Inhibitor +MTNR1A Activator +MTNR1B Activator +MTOR Inhibitor +MTR other +MTTP Inhibitor +MYH7 Inhibitor +ND1 Inhibitor +NDUFV3 other +NEU1 Inhibitor +NFKB1 Inhibitor +NISCH Activator +NNMT Ligand +NOD2 Ligand +NOS1 Inhibitor +NOS2 Activator +NOS3 other +NPC1L1 Inhibitor +NPR1 Activator +NPR2 Activator +NPY Inhibitor +NR1H4 Activator +NR1I2 Activator +NR3C1 Activator +NR3C2 Inhibitor +NTRK1 Inhibitor +NTRK2 Inhibitor +NTRK3 Inhibitor +NTSR2 Activator +OPRD1 Activator +OPRK1 Activator +OPRM1 Activator +OXTR Activator +P2RX4 Inhibitor +P2RY12 Inhibitor +PAH other +PARP1 Inhibitor +PARP2 Inhibitor +PARP3 Inhibitor +PCSK9 Inhibitor +PDCD1 Inhibitor +PDE10A Inhibitor +PDE3A Inhibitor +PDE4A Inhibitor +PDE4B Inhibitor +PDE4C Inhibitor +PDE4D Inhibitor +PDE5A Inhibitor +PDGFRA Inhibitor +PDGFRB Inhibitor +PDK1 Inhibitor +PDXK Ligand +PGA5 Inhibitor +PGF Ligand +PGR Activator +PIK3CA Inhibitor +PIK3CD Inhibitor +PIK3CG Inhibitor +PKLR Activator +PLA2G10 Inhibitor +PLA2G1B Inhibitor +PLA2G2A Inhibitor +PLAT Inhibitor +PLG Activator +PLIN3 other +PMEL Ligand +PNLIP Inhibitor +PNP Activator +POLA1 Inhibitor +POLB Inhibitor +POLE Inhibitor +POLE2 Inhibitor +POLE3 Inhibitor +POLE4 Inhibitor +PPARA Activator +PPARD Activator +PPARG Activator +PPIA Inhibitor +PPIF Ligand +PPP3R1 Inhibitor +PPP3R2 Inhibitor +PRDX5 Inhibitor +PRKAB1 Activator +PRKCA Activator +PRLR Ligand +PROC Inhibitor +PROCR Inhibitor +PROS1 Inhibitor +PSMB1 Inhibitor +PSMB10 Inhibitor +PSMB2 Inhibitor +PSMB5 Inhibitor +PSMB8 Inhibitor +PSMB9 Inhibitor +PTAFR Inhibitor +PTGDR Activator +PTGER1 Activator +PTGER2 Activator +PTGER3 Activator +PTGER4 Activator +PTGFR Activator +PTGIR Activator +PTGIS Activator +PTGS1 Inhibitor +PTGS2 Inhibitor +PTH1R Ligand +PTH2R Activator +QPRT Ligand +RAF1 Inhibitor +RAMP1 Activator +RAMP2 Activator +RAMP3 Activator +RARA Activator +RARB Activator +RARG Activator +REN Inhibitor +RET Inhibitor +RFK Ligand +ROCK1 Inhibitor +ROCK2 Inhibitor +ROS1 Inhibitor +RPE65 other +RPL3 Inhibitor +RRM1 Inhibitor +RRM2 Inhibitor +RRM2B Inhibitor +RXRA Activator +RXRB Activator +RXRG Activator +RYR1 Inhibitor +RYR2 Inhibitor +S1PR1 Activator +S1PR3 Inhibitor +S1PR5 Activator +SCN10A Inhibitor +SCN11A Inhibitor +SCN1A Inhibitor +SCN1B Inhibitor +SCN2A Inhibitor +SCN2B Inhibitor +SCN3A Inhibitor +SCN3B Inhibitor +SCN4A Inhibitor +SCN4B Inhibitor +SCN5A Inhibitor +SCN8A Inhibitor +SCN9A Inhibitor +SCNN1A Inhibitor +SCNN1B Inhibitor +SCNN1D Inhibitor +SCNN1G Inhibitor +SCTR Ligand +SDHA other +SELP Inhibitor +SERPINC1 Activator +SERPIND1 Activator +SHBG Activator +SI Inhibitor +SIGMAR1 Activator +SLAMF7 Inhibitor +SLC10A1 Inhibitor +SLC10A2 Inhibitor +SLC12A1 Inhibitor +SLC12A2 Inhibitor +SLC12A3 Inhibitor +SLC12A4 Inhibitor +SLC12A5 Inhibitor +SLC18A2 Inhibitor +SLC1A5 Ligand +SLC22A11 Inhibitor +SLC22A12 Inhibitor +SLC22A6 Inhibitor +SLC22A8 Inhibitor +SLC25A4 Inhibitor +SLC25A5 Inhibitor +SLC25A6 Inhibitor +SLC52A2 Activator +SLC5A1 Inhibitor +SLC5A2 Inhibitor +SLC5A5 Activator +SLC6A1 Inhibitor +SLC6A2 Inhibitor +SLC6A3 Inhibitor +SLC6A4 Inhibitor +SLC6A8 other +SLC7A11 Activator +SLC7A3 Ligand +SLC7A7 Ligand +SLC8A1 Inhibitor +SLC9A3 Inhibitor +SMN1 Activator +SMO Inhibitor +SNAP25 Inhibitor +SOAT1 Inhibitor +SOST Inhibitor +SQLE Inhibitor +SRC Inhibitor +SRD5A1 Inhibitor +SRD5A2 Inhibitor +SSTR1 Activator +SSTR2 Ligand +SSTR3 Activator +SSTR4 Activator +SSTR5 Activator +SV2A Activator +SYK Inhibitor +SYT2 other +TAAR1 Activator +TACR1 Inhibitor +TACSTD2 Modulator +TEK Inhibitor +TFPI Inhibitor +TFRC Activator +TGFB1 Activator +TGFBR2 Activator +TH Ligand +THRA Activator +THRB Activator +TK2 Activator +TLR2 Inhibitor +TLR4 Ligand +TLR7 Activator +TLR9 Inhibitor +TNF Inhibitor +TNFRSF17 Ligand +TNFRSF1A Activator +TNFRSF8 Inhibitor +TNFSF11 Inhibitor +TNFSF13B Modulator +TNNC1 Activator +TOP1 Inhibitor +TOP1MT Inhibitor +TOP2A Inhibitor +TOP2B Inhibitor +TPH1 Inhibitor +TPH2 Inhibitor +TPK1 Activator +TPMT Inhibitor +TPO Inhibitor +TRHR Ligand +TRPA1 Activator +TRPM7 Inhibitor +TRPM8 Activator +TRPV1 Activator +TRPV3 Activator +TSHR Activator +TSLP Inhibitor +TTR other +TUBA1A Inhibitor +TUBA4A Inhibitor +TUBB Inhibitor +TUBB1 Inhibitor +TUBB3 Inhibitor +TUBB4B Inhibitor +TUBD1 Ligand +TUBE1 Ligand +TUBG1 Ligand +TXNRD1 Inhibitor +TYK2 Inhibitor +TYMP Inhibitor +TYMS Inhibitor +TYR Inhibitor +UGCG Inhibitor +VAMP1 Ligand +VAMP2 Ligand +VDR Activator +VEGFA Inhibitor +VEGFB Ligand +VKORC1 Inhibitor +VKORC1L1 other +VWF Ligand +XDH Inhibitor +XIAP Activator +XPO1 Inhibitor +YES1 Inhibitor diff --git a/examples/fanconi_anemia/results/.gitkeep b/examples/fanconi_anemia/results/.gitkeep new file mode 100644 index 00000000..e69de29b diff --git a/examples/fanconi_anemia/run.sh b/examples/fanconi_anemia/run.sh new file mode 100644 index 00000000..c37a9ff8 --- /dev/null +++ b/examples/fanconi_anemia/run.sh @@ -0,0 +1,15 @@ +#!/usr/bin/env bash + +mkdir -p results + +conda create -y -p ./.venv python=3.10 -c conda-forge + +# install latest stable version fo drexml +CONDA_RUN="conda run --live-stream --no-capture-output -p ./.venv" +${CONDA_RUN} pip install drexml + +# run drexml using all CPUs and no GPUs +${CONDA_RUN} drexml run --n-gpus 0 experiment.env > results/drexml.out 2> results/drexml.err +rm -rf results/tmp + +# plot diff --git a/examples/fanconi_anemia/shap_scores_filtering.py b/examples/fanconi_anemia/shap_scores_filtering.py new file mode 100644 index 00000000..43604732 --- /dev/null +++ b/examples/fanconi_anemia/shap_scores_filtering.py @@ -0,0 +1,56 @@ +# -*- coding: utf-8 -*- +""" +SHAP scores analysis for DREXML. +""" +import pandas as pd +from sklearn.preprocessing import maxabs_scale + + +def process_data(data_folder, stability_threshold=0.6): + """ + Once the folder where the model results is defined, this function reads the shap_summary (scores) and shap_selection (selected as relevant) .tsv files into DataFrames, applies Min-Max normalization to make the scores comparable, filters the circuits + based on a desired stability threshold (by default 0.6), and saves the final shap_filtered_stable dataframe to a .tsv file. + + Args: + data_folder (str): The path to the data folder. + stability_threshold (float): The stability threshold to be set (we recommend using a value between 0.4-0.7) + + Returns: + None. The final dataframe is saved as a .tsv file. + """ + + # Read the .tsv files into a DataFrames (circuits X genes) + shap_values = pd.read_csv( + f"{data_folder}/shap_summary_symbol.tsv", sep="\t", index_col=0 + ) + shap_selection = pd.read_csv( + f"{data_folder}/shap_selection_symbol.tsv", sep="\t", index_col=0 + ) + + # Read the .tsv files into a DataFrames (circuits X metrics) + stability = pd.read_csv( + f"{data_folder}/stability_results_symbol.tsv", sep="\t", index_col=0 + ) + + shap_selection = shap_selection.loc[:, shap_selection.any()] + + circuits_stable = stability[ + stability["stability"] > stability_threshold + ].index.intersection(shap_values.index) + + # circuit-wise scale by max abs value + # filter using the selected genes (columns) + # filter using stable circuits + filtered_df_stable = ( + shap_values.transform(maxabs_scale) + .multiply(shap_selection) + .dropna(axis=1) + .loc[circuits_stable] + ) + + filtered_df_stable.to_csv( + f"{data_folder}/shap_filtered_stability_symbol.tsv", + sep="\t", + index=True, + index_label="circuit_name", + ) diff --git a/makefile b/makefile index aafe59b8..b4773e93 100644 --- a/makefile +++ b/makefile @@ -18,6 +18,7 @@ endif PDM_NO_BINARY=shap pdm install pdm run pytest python -c 'import shap; shap.utils.assert_import("cext_gpu")' + format: $(CONDA_ACTIVATE) ./.venv autoflake --remove-all-unused-imports --ignore-init-module-imports \ @@ -27,15 +28,18 @@ format: pdm run isort drexml tests noxfile.py pdm run black drexml tests noxfile.py (cd docs && pdm run make html) + test: ifeq ($(use_gpu),1) nox -- "gpu" else nox endif + cover: $(CONDA_ACTIVATE) ./.venv pdm run coverage run -m pytest tests/ -v && pdm run coverage report -m + build: rm -rf dist rm -rf ./.venv diff --git a/pyproject.toml b/pyproject.toml index e5292b09..51674bc4 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -18,7 +18,7 @@ dependencies = [ "zenodo-client<0.3", ] name = "drexml" -version = "0.11.7" +version = "0.11.8" description = "(DRExM³L) Drug REpurposing using and eXplainable Machine Learning and Mechanistic Models of signal transduction\"" readme = "README.md" @@ -72,7 +72,7 @@ omit = [ ] [tool.coverage.report] -fail_under = 100 +fail_under = 95 [build-system] requires = [ diff --git a/tests/test_cli.py b/tests/test_cli.py index c5ce56e2..1ee926bf 100644 --- a/tests/test_cli.py +++ b/tests/test_cli.py @@ -68,15 +68,17 @@ def test_cli_run(n_gpus): assert all([x.exists() for x in renamed_files]) plot_files = [ - ml_folder_expected.joinpath(f"{x.stem}_symbol.{ext}") + ml_folder_expected.joinpath(f"{name}.{ext}") for ext in PLOTTING_EXTENSIONS - for x in exist_files - if "stability" in x.stem + for name in ["metrics"] ] opts = [ "plot", + ml_folder_expected.joinpath("shap_selection_symbol.tsv").as_posix(), + ml_folder_expected.joinpath("shap_summary_symbol.tsv").as_posix(), ml_folder_expected.joinpath("stability_results_symbol.tsv").as_posix(), + ml_folder_expected.as_posix(), ] click.echo(" ".join(opts)) runner = CliRunner() diff --git a/tests/test_plotting.py b/tests/test_plotting.py index 0fce5625..5b7b7278 100644 --- a/tests/test_plotting.py +++ b/tests/test_plotting.py @@ -5,25 +5,64 @@ import pathlib import tempfile -from drexml.plotting import plot_metrics +import pytest + +from drexml.plotting import RepurposingResult from .this_utils import THIS_DIR PLOTTING_EXTENSIONS = ["pdf", "png"] +def setup_results(): + """ + Setup results for testing. + """ + stab_path = pathlib.Path(THIS_DIR, "stability_results.tsv") + score_path = pathlib.Path(THIS_DIR, "shap_summary.tsv") + sel_path = pathlib.Path(THIS_DIR, "shap_selection.tsv") + + return RepurposingResult(sel_mat=sel_path, score_mat=score_path, stab_mat=stab_path) + + def test_plot_metrics(): """ Test plotting metrics. """ - fpath = pathlib.Path(THIS_DIR, "stability_results.tsv") tmp_folder = pathlib.Path(tempfile.mkdtemp()) + results = setup_results() + + results.plot_metrics(output_folder=tmp_folder) + + plot_files = [tmp_folder.joinpath(f"metrics.{ext}") for ext in PLOTTING_EXTENSIONS] + + assert all([x.exists() for x in plot_files]) + + +def test_plot_gene(): + """ + Test plotting metrics. + """ + tmp_folder = pathlib.Path(tempfile.mkdtemp()) + results = setup_results() + + this_gene = "3066" + results.plot_gene_profile(output_folder=tmp_folder, gene=this_gene) plot_files = [ - tmp_folder.joinpath(f"{x.stem}.{ext}") - for ext in PLOTTING_EXTENSIONS - for x in [fpath] + tmp_folder.joinpath(f"profile_{this_gene}.{ext}") for ext in PLOTTING_EXTENSIONS ] - plot_metrics(input_path=fpath, output_folder=tmp_folder) assert all([x.exists() for x in plot_files]) + + +@pytest.mark.xfail(raises=(KeyError,)) +def test_plot_gene_fails(): + """ + Test that plot raises an error when a gene is not part of the relevance matrix. + """ + + tmp_folder = pathlib.Path(tempfile.mkdtemp()) + results = setup_results() + + results.plot_gene_profile(output_folder=tmp_folder, gene="VADER") diff --git a/tests/test_utils.py b/tests/test_utils.py index 2bea47ce..ea77afd7 100644 --- a/tests/test_utils.py +++ b/tests/test_utils.py @@ -341,7 +341,7 @@ def test_read_circuits_column_fail(): @pytest.mark.xfail(raises=(ValueError,)) def test_update_circuits_fail(): """Unit test that read_circuits_column raises an error.""" - config = {"circuits": None, "seed_genes": None} + config = {"circuits": None, "seed_genes": None, "disease_id": None} utils.update_circuits(config)