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 | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 14/20 | 0.50 |
| ▸ | CCND1 | P24385 | 14/20 | 0.50 |
| ▸ | CCNE2 | O96020 | 11/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 11/20 | 0.50 |
| ▸ | CDK2 | P24941 | 11/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599902 | 0.96 | CDK4 (0.52) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL5600331 | 0.91 | CDK4 (0.53) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL7953286 | 0.88 | CDK4 (0.46) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8121281 | 0.87 | CDK4 (0.53) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL5600433 | 0.87 | CRHR1 (0.57) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL5599666 | 0.85 | CDK4 (0.54) | CDK4CCND1CCNE2CCNE1CDK2 | |
| Acetic Acid SCHEMBL8113498 | 0.85 | CDK4 (0.52) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL5599897 | 0.82 | CRHR1 (0.49) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL7968457 | 0.81 | CRHR1 (0.48) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL5611027 | 0.81 | CDK4 (0.55) | CDK4CCND1CCNE2CCNE1CDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6218397-B1 | FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES | PFIZER INC | 2001-04-17 | — | — | US | disclosed |
| EP-0674642-B1 | PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS | PFIZER (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1994013677-A1 | PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS | PFIZER INC. (US) | 1994-06-23 | — | — | WO | disclosed |