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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7193571 | 0.91 | CA1 (0.47) | CYP1A2CYP2C19ALDH1A1KDM4ECA1 | |
| SCHEMBL30439279 | 0.91 | CA1 (0.47) | CYP1A2CYP2C19ALDH1A1KDM4ECA1 | |
| SCHEMBL14965654 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19ALDH1A1KDM4ECA1 | |
| SCHEMBL14965656 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19ALDH1A1KDM4ECA1 | |
| Acetic Acid SCHEMBL21570910 | 0.75 | MTNR1A (0.56) | CYP1A2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL15467482 | 0.75 | ERN1 (0.43) | CYP1A2CYP2C19ALDH1A1CA1CA2 | |
| SCHEMBL23195050 | 0.74 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1KDM4ECA1 | |
| Acetic Acid SCHEMBL28922218 | 0.74 | MTNR1A (0.54) | CYP1A2ALDH1A1KDM4EMAPTHPGD | |
| Acetic Acid SCHEMBL29233786 | 0.74 | MTNR1A (0.54) | CYP1A2ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL15427811 | 0.74 | ERN1 (0.42) | CYP1A2CYP2C19ALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4219688-A | BY REACTING BUTADIENE/1,3-/ AND CYCLOPENTADIENE/1,3-/ IN A SOLVENT WITH A REFRACTIVE INDEX OF 30 OR MORE | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1980-08-26 | — | — | US | disclosed |