Validation Benchmark
The reasoning engine is validated against DrugMechDB, an expert-curated gold-standard of drug–target mechanisms. Each drug is queried live through the same pipeline the API uses, and the reconstructed targets are matched to the accepted mechanism by canonical UniProt accession — never by name strings — so that ACE (P12821) can never be confused with ACE2 (Q9BYF1).
Matching methodology
Match by canonical UniProt accession; a drug is correct if the engine reconstructs at least one gold primary target accession.
The one residual mismatch: metformin
Every residual mismatch is a drug whose therapeutic effect is mediated INDIRECTLY: the databases curate a direct molecular binding target (e.g. a multi-subunit complex) that is upstream of the clinically-cited effector. These are known mechanism ambiguities, not identifier-resolution errors.
Per-drug results
| Drug | Class | Gold targets (UniProt) | Engine accessions | Matched | Result |
|---|---|---|---|---|---|
| lisinopril | ACE inhibitor | ACEP12821 | P12821 | 1/1 | |
| captopril | ACE inhibitor | ACEP12821 | P12821 | 1/1 | |
| enalapril | ACE inhibitor | ACEP12821 | P12821 | 1/1 | |
| losartan | ARB | AGTR1P30556 | P30556 | 1/1 | |
| valsartan | ARB | AGTR1P30556 | P30556 | 1/1 | |
| atorvastatin | statin | HMGCRP04035 | P04035 | 1/1 | |
| simvastatin | statin | HMGCRP04035 | P04035 | 1/1 | |
| rosuvastatin | statin | HMGCRP04035 | P04035 | 1/1 | |
| aspirin | NSAID | PTGS1P23219PTGS2P35354 | P35354P23219 | 2/2 | |
| ibuprofen | NSAID | PTGS1P23219PTGS2P35354 | P35354P23219 | 2/2 | |
| celecoxib | COX-2 inhibitor | PTGS2P35354 | P35354 | 1/1 | |
| warfarin | anticoagulant | VKORC1Q9BQB6 | Q9BQB6 | 1/1 | |
| omeprazole | PPI | ATP4AP20648 | P20648P51164 | 1/1 | |
| metoprolol | beta blocker | ADRB1P08588 | P08588 | 1/1 | |
| atenolol | beta blocker | ADRB1P08588 | P08588 | 1/1 | |
| propranolol | beta blocker | ADRB1P08588ADRB2P07550 | P08588P07550 | 2/2 | |
| albuterol | beta agonist | ADRB2P07550 | P07550 | 1/1 | |
| amlodipine | calcium channel blocker | CACNA1CQ13936 | Q13936Q13698Q01668O60840 | 1/1 | |
| verapamil | calcium channel blocker | CACNA1CQ13936 | Q13936Q13698Q01668O60840 | 1/1 | |
| diazepam | benzodiazepine | GABRA1P14867 | P14867P47870P18507P28472P48169Q99928+10 more | 1/1 | |
| fluoxetine | SSRI | SLC6A4P31645 | P31645 | 1/1 | |
| sertraline | SSRI | SLC6A4P31645 | P31645 | 1/1 | |
| sildenafil | PDE5 inhibitor | PDE5AO76074 | O76074 | 1/1 | |
| tadalafil | PDE5 inhibitor | PDE5AO76074 | O76074 | 1/1 | |
| allopurinol | xanthine oxidase inhibitor | XDHP47989 | P47989 | 1/1 | |
| furosemide | loop diuretic | SLC12A1Q13621 | Q13621 | 1/1 | |
| hydrochlorothiazide | thiazide diuretic | SLC12A3P55017 | P55017 | 1/1 | |
| digoxin | cardiac glycoside | ATP1A1P05023 | P05023P14415P05026P50993P54709P13637+2 more | 1/1 | |
| levothyroxine | thyroid hormone | THRBP10828 | P10827P10828 | 1/1 | |
| clopidogrel | antiplatelet | P2RY12Q9H244 | Q9H244 | 1/1 | |
| gabapentin | anticonvulsant | CACNA2D1P54289 | O95180P54289Q13936Q8IZS8Q13698Q9NY47+20 more | 1/1 | |
| pregabalin | anticonvulsant | CACNA2D1P54289 | O95180P54289Q13936Q8IZS8Q13698Q9NY47+20 more | 1/1 | |
| donepezil | cholinesterase inhibitor | ACHEP22303 | P22303 | 1/1 | |
| rivastigmine | cholinesterase inhibitor | ACHEP22303BCHEP06276 | P06276P22303 | 2/2 | |
| methotrexate | antifolate | DHFRP00374 | P00374 | 1/1 | |
| sitagliptin | DPP-4 inhibitor | DPP4P27487 | P27487 | 1/1 | |
| empagliflozin | SGLT2 inhibitor | SLC5A2P31639 | P31639 | 1/1 | |
| montelukast | leukotriene antagonist | CYSLTR1Q9Y271 | Q9Y271 | 1/1 | |
| loratadine | antihistamine | HRH1P35367 | P35367 | 1/1 | |
| ranitidine | H2 blocker | HRH2P25021 | P25021 | 1/1 | |
| morphine | opioid | OPRM1P35372 | P35372 | 1/1 | |
| metformin | biguanide | PRKAB1Q9Y478 | P03923O95299O00217P03901P56556P03886+45 more | 0/1 |
Generated 2026-09-23. Green accessions are canonical UniProt matches to the gold-standard target. Results are reproducible via the bundled validation harness.