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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 14/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7165696 | 0.97 | CHEK1 (0.49) | KDRCHEK1CDK1CDK2BCHE | |
| Acetic Acid SCHEMBL7698471 | 0.91 | KDR (0.47) | KDRCHEK1CDK1CDK2BCHE | |
| SCHEMBL7701289 | 0.88 | CHEK1 (0.48) | KDRCHEK1CDK1CDK2BCHE | |
| SCHEMBL7093375 | 0.86 | CHEK1 (0.50) | KDRCHEK1CDK1CDK2KIT | |
| Acetic Acid SCHEMBL7696866 | 0.86 | KDR (0.46) | KDRCHEK1CDK1CDK2KIT | |
| SCHEMBL7696867 | 0.85 | CHEK1 (0.47) | KDRCHEK1CDK1CDK2KIT | |
| SCHEMBL7696212 | 0.83 | CHEK1 (0.47) | KDRCHEK1CDK1CDK2KIT | |
| SCHEMBL7814577 | 0.83 | CHEK1 (0.57) | KDRCHEK1CDK1CDK2KIT | |
| SCHEMBL7701942 | 0.82 | CHEK1 (0.54) | KDRCHEK1CDK1CDK2 | |
| SCHEMBL7700264 | 0.81 | KDR (0.48) | KDRCHEK1CDK1CDK2KIT |
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-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |