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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5153023 | 0.89 | HRH3 (0.44) | CYP1A2CYP2C19HRH3MEN1KMT2A | |
| SCHEMBL15184685 | 0.89 | HRH3 (0.44) | CYP1A2CYP2C19HRH3MEN1KMT2A | |
| SCHEMBL13662800 | 0.89 | HRH3 (0.44) | CYP1A2CYP2C19HRH3MEN1KMT2A | |
| Acetic Acid SCHEMBL28193238 | 0.86 | CYP2C19 (0.58) | CYP2C19SMN1; SMN2 | |
| Acetic Acid SCHEMBL28193316 | 0.82 | AOC3 (0.47) | CYP1A2CYP2C19HRH3SMN1; SMN2ALDH1A1 | |
| SCHEMBL15184717 | 0.79 | TSHR (0.44) | CYP2C19HRH3SMN1; SMN2ALDH1A1 | |
| SCHEMBL3245046 | 0.76 | HRH3 (0.43) | CYP2C19HRH3SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL5733567 | 0.75 | CYP2C19 (0.57) | CYP2C19HRH3SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5732595 | 0.75 | CYP2C19 (0.57) | CYP2C19HRH3SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL96509 | 0.75 | CYP2C19 (0.57) | CYP2C19HRH3SMN1; SMN2ALDH1A1MAPT |
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-104450852-B | A kind of preparation method of homoallylic alcohol class compound | 宁夏大学 | 2018-01-09 | — | — | CN | disclosed |