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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 16/20 | 0.46 |
| ▸ | GABRD | O14764 | 16/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 16/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 16/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 16/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 16/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 16/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 16/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 16/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 16/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 16/20 | 0.46 |
| ▸ | GABRE | P78334 | 16/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 16/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 16/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 16/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 16/20 | 0.46 |
| ▸ | CDK4 | P11802 | 3/20 | 0.46 |
| ▸ | CCND1 | P24385 | 3/20 | 0.46 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7965439 | 0.88 | GABRP (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7961966 | 0.77 | CDK4 (0.59) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7961465 | 0.70 | CRHR1 (0.48) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Acetic Acid SCHEMBL7953282 | 0.70 | CDK4 (0.50) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL7965698 | 0.69 | CDK4 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7577957 | 0.69 | CRHR1 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7969123 | 0.67 | CDK4 (0.67) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL7962588 | 0.66 | CDK4 (0.62) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL8121281 | 0.65 | CDK4 (0.53) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL10389983 | 0.65 | GABRP (0.56) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |