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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | PAM | P19021 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL538524 | 0.94 | CYP19A1 (0.76) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL27882415 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL11759023 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL28035668 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL8365863 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL28010816 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL28795788 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL4205339 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL11131614 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR | |
| SCHEMBL27841023 | 0.92 | CYP19A1 (0.73) | CYP19A1SMN1; SMN2KMT2AHPGDTSHR |
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-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |