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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL12286073 | 0.78 | ALOX5 (0.51) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL1829561 | 0.77 | ALOX5 (0.50) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL17240907 | 0.76 | ALOX5 (0.49) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL369880 | 0.75 | GSK3B (0.45) | ALOX5ALDH1A1MAPTHPGDCYP2C19 | |
| SCHEMBL9829630 | 0.73 | ALOX5 (0.46) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL9829636 | 0.73 | ALOX5 (0.46) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL28430563 | 0.71 | MAPT (0.53) | ALOX5MAPK1ALDH1A1MAPTHPGD | |
| SCHEMBL29008162 | 0.71 | L3MBTL1 (0.53) | ALOX5ALDH1A1MAPTHPGDCYP2C19 | |
| SCHEMBL14401408 | 0.69 | ALDH1A1 (0.53) | ALDH1A1ADORA1L3MBTL1HTTKDM4E | |
| SCHEMBL1644668 | 0.68 | ALDH1A1 (0.44) | ALOX5MAPK1ALDH1A1MAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111631989-B | Anti-wrinkle composition and preparation method and application thereof | 泉后(广州)生物科技研究院有限公司 | 2022-10-11 | — | — | CN | claimed |