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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1869397 | 0.92 | ALOX5 (0.46) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| SCHEMBL132917 | 0.92 | ALOX5 (0.46) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| Methoxymethane SCHEMBL27600713 | 0.91 | ALOX5 (0.45) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| Bromomethane SCHEMBL28067389 | 0.89 | ALOX5 (0.44) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| Ether SCHEMBL28727008 | 0.85 | TRPM8 (0.41) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| Acetic Acid SCHEMBL1657269 | 0.83 | PTGS1 (0.44) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| SCHEMBL27082230 | 0.81 | ALOX5 (0.46) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| SCHEMBL530900 | 0.81 | ALOX5 (0.42) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| Acetic Acid SCHEMBL27937763 | 0.81 | CA1 (0.45) | ALOX5PTGS1ALDH1A1CYP3A4AR | |
| SCHEMBL310587 | 0.79 | ALOX5 (0.49) | ALOX5PTGS1ALDH1A1CYP3A4AR |
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-111918635-A | Method for improving solubility of poorly water-soluble components | 株式会社ADEKA | 2020-11-10 | — | — | CN | disclosed |