qsong-github/drugclaw/kegg-drug

68 · KEGG Drug

Approved drugs — structures, targets, pathways & drug-drug interactions

Category: Drug-centric | Type: DB | Subcategory: DDI

API: https://rest.kegg.jp (free, no key required for academic use)

What it provides

• Drug metadata: name, formula, molecular weight, efficacy, class
• Targets: gene/protein targets for each approved drug
• Interactions (DDI): drug-drug interaction annotations
• Pathways: linked KEGG pathway IDs

Quick start

from 68_KEGG_Drug import query
# Single entity
results = query("aspirin")
# Multiple entities
results = query(["aspirin", "metformin", "imatinib"])
# By KEGG Drug ID
results = query("D00109")
# Specific fields only
results = query("warfarin", fields="targets")
results = query("warfarin", fields="interactions")

query() interface

query(entities, fields="all") -> list[dict]

Return structure (fields="all")

[
  {
    "drug_id": "dr:D00109",
    "query": "aspirin",
    "name": "Aspirin (JP18/USP/INN); ...",
    "formula": "C9H8O4",
    "mol_weight": "180.0423",
    "targets": ["PTGS1 ...", "PTGS2 ..."],
    "interactions": ["Warfarin [precaution] ...", ...],
    "pathways": ["map07112 ...", ...],
    "classes": ["Analgesic ...", ...]
  }
]

If a name cannot be resolved, the entry contains {"query": "xxx", "error": "No match found"}.

Lower-level functions

Notes

• KEGG REST API is free for academic use; commercial use requires a license.
• Rate limit: no official cap, but keep requests reasonable (~1 req/sec).
• Drug IDs look like D00109 or dr:D00109; both formats accepted.
• Not all drugs have interaction or target annotations — empty list means no data.