Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 12/20 | 0.44 |
| ▸ | AGTR2 | P50052 | 12/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9023830 | 0.94 | AGTR1 (0.46) | AGTR1AGTR2ALDH1A1MAPTPDE4A | |
| SCHEMBL9024606 | 0.81 | AGTR1 (0.47) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL9024858 | 0.80 | AGTR1 (0.46) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL9024846 | 0.80 | AGTR1 (0.46) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| Water SCHEMBL9024199 | 0.80 | PTGS2 (0.44) | AGTR1AGTR2MAPT | |
| SCHEMBL9024201 | 0.79 | PTGS2 (0.45) | AGTR1AGTR2MAPT | |
| Hydrochloric Acid SCHEMBL9496821 | 0.78 | AGTR1 (0.53) | AGTR1AGTR2 | |
| SCHEMBL9024194 | 0.77 | PTGS2 (0.37) | AGTR1AGTR2 | |
| SCHEMBL9025445 | 0.77 | PTGS2 (0.37) | AGTR1AGTR2 | |
| SCHEMBL9709757 | 0.77 | AGTR1 (0.52) | AGTR1AGTR2PDE4APDE4BPDE4C |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0611368-B1 | SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS | AMERICAN HOME PROD (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5336677-A | ANTAGONIST OF ANGIOTENSIN II | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-08-09 | — | — | US | disclosed |