Navigator

      Support By : Li-lab

Drug-Target Files

Type Drugs Targets Interactions
Drug-Gene Drugs for Genes Genes Drug-Gene Interactions
Drug-RNA Drugs for RNAs RNAs Drug-RNA Interactions
Drug-Pathway Drugs for Pathways Pathways Drug-Pathway Interactions

Main Content Description of Drug-Target

Drugs File: This table contains all the drugs in HCDT 2.0, with detailed information for each drug. (Columns: DRUG_NAME, PUBCHEM_CID, cmpdsynonym, mw, mf, inchi, isosmiles, canonicalsmiles, inchikey, iupacname.)

Genes File: This table provides comprehensive gene information, including various gene identifiers. (Columns: GENE_SYMBOL, UNIPROT_ID, HGNC_ID, ENSEMBL_ID, ENTREZ_ID.)

RNAs File: This table contains information about RNAs, including their names, IDs, and types. (Columns: RNA_NAME, RNA_ID, RNA_TYPE.)

Pathways File: This table offers a compilation of pathway data, including names and various associated identifiers. (Columns: PATH_NAME, DATA_SOURCE, REACTOME_ID, KEGG_HSAID, SMPDB.ID, ChEBI.ID, KEGG_ID, GENEIDS.)

Drug-Gene Interactions File: This table captures all drug-gene interactions in HCDT 2.0, linking drugs to their target genes. (Columns: PUBCHEM_CID, DRUG_NAME, GENE_SYMBOL, UNIPROT_ID, HGNC_ID, Datasource.)

Drug-RNA Interactions File: This table details the interactions between drugs and RNAs, including the associated data source. (Columns: RNA_NAME, PUBCHEM_CID, Datasource, RNA_ID, RNA_TYPE, DRUG_NAME.)

Drug-Pathway Interactions File: This table outlines the interactions between drugs and pathways, providing a comprehensive view of the relationships. (Columns: drug_name, path_name, source, PUBCHEM_CID, DRUGURL, REACTOME_ID, KEGG_HSAID, SMPDB.ID, ChEBI.ID, KEGG_ID, GENEIDS.)

Negative Drug-Target Files

File Description
negative DTIs This table presents information on negative drug-target interactions, featuring drug names, PubChem identifiers, target genes, and related binding affinity data. Columns: GENE_SYMBOL, HGNC_ID, UNIPROT_ID, PUBCHEM_CID, DRUG_NAME, Ki (nM), IC50 (nM), Kd (nM), EC50 (nM), Potency (nM), AC50 (nM), Datasource

Drug-Disease Files

File Description
Drug-Disease This table outlines the interactions between drugs and diseases, including the drug names, PubChem identifiers, disease names, and relevant disease classification codes such as ICD-11, MeSH, and OMIM. Columns: Drug_Name, Pubchem_CID, Disease_Name, ICD-11, MeSH, OMIM, Data_Source

Interactions between Targets

File Description
Pathway-Gene This table outlines the associations between pathways and genes.
Columns: PATH_NAME, DATA_SOURCE, REACTOME_ID, KEGG_HSAID, SMPDB.ID, ChEBI.ID, KEGG_ID, GENE_SYMBOL, PATH_URL
RNA-Gene This table outlines the associations between RNA and genes (based on cis-regulation).
Columns: seqnames, RNA_NAME, RNA_ID, RNA_TYPE, Datasource, start_rna, end_rna, strand_rna, width_rna, start_gene, end_gene, width_gene, strand_gene, ID, Name, gene_id, distance
RNA-TargetGene This table outlines the relationship between RNA and genes (based on RNA-target gene interactions).
Columns: RNA_NAME, RNA_ID, RNA_TYPE, Datasource, Target, TargetEntrezID

README

Readme provides detailed descriptions of all files and the standardized annotation schema used in the dataset.