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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | CASP6 | P55212 | 1/20 | 0.61 |
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL216792 | 0.86 | KDM4E (0.70) | KDM4ECASP6SHBGPKMMAPT | |
| SCHEMBL2222700 | 0.84 | KDM4E (0.63) | KDM4ECASP6SHBGPKMMAPT | |
| Acetic Acid SCHEMBL9331510 | 0.83 | SHBG (0.44) | KDM4ECASP6SHBGPKMPRKCE | |
| Acetic Acid SCHEMBL9331513 | 0.83 | SHBG (0.44) | KDM4ECASP6SHBGPKMPRKCE | |
| Dimethylamine SCHEMBL3843461 | 0.82 | KDM4E (0.59) | KDM4ECASP6SHBGPKMMAPT | |
| SCHEMBL17752049 | 0.79 | KDM4E (0.61) | KDM4ECASP6SHBGMAPTACHE | |
| SCHEMBL1482929 | 0.79 | KDM4E (0.61) | KDM4ECASP6SHBGMAPTACHE | |
| SCHEMBL11522991 | 0.79 | KDM4E (0.56) | KDM4ECASP6SHBGPKMMAPT | |
| SCHEMBL9973601 | 0.78 | ALDH1A1 (0.47) | KDM4ECASP6SHBGPKMMAPT | |
| SCHEMBL9061275 | 0.77 | KDM4E (0.59) | KDM4ECASP6SHBGMAPTACHE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340888-A | Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores | BORDEN INC. (US) | 1994-08-23 | — | — | US | claimed |
| EP-0377996-B1 | Phenolic resins | BORDEN UK LTD (GB) | 1994-04-27 | — | — | EP | claimed |
| EP-0377996-A1 | Phenolic resins | BORDEN (UK) LIMITED (GB) | 1990-07-18 | — | — | EP | claimed |
| WO-1990006903-A1 | PHENOLIC RESINS | BORDEN (UK) LIMITED (GB) | 1990-06-28 | — | — | WO | claimed |
| US-5340888-A | Curable mixture of phenolic novolak resin, esterified phenolic compound and base; for foundry molds, cores | BORDEN INC. (US) | 1994-08-23 | — | — | US | disclosed |
| EP-0377996-B1 | Phenolic resins | BORDEN UK LTD (GB) | 1994-04-27 | — | — | EP | disclosed |
| EP-0377996-A1 | Phenolic resins | BORDEN (UK) LIMITED (GB) | 1990-07-18 | — | — | EP | disclosed |
| WO-1990006903-A1 | PHENOLIC RESINS | BORDEN (UK) LIMITED (GB) | 1990-06-28 | — | — | WO | disclosed |