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 | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10617304 | 0.70 | CA5A (0.43) | TSHRALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL7107961 | 0.69 | CYP4F2 (0.48) | CYP4F2CYP4A11TSHRALDH1A1MAPT | |
| SCHEMBL20019982 | 0.69 | SIGMAR1 (0.30) | — | |
| SCHEMBL7106411 | 0.68 | HIF1A (0.38) | CYP4F2CYP4A11ALDH1A1PRKAB2PRKAG1 | |
| SCHEMBL2927011 | 0.66 | HSD17B10 (0.48) | TSHRALDH1A1MAPTKMT2ALMNA | |
| SCHEMBL16966287 | 0.66 | L3MBTL1 (0.34) | CYP4F2CYP4A11TSHRALDH1A1KMT2A | |
| Phenylethyl Alcohol SCHEMBL183529 | 0.65 | TDP1 (0.76) | CYP4F2CYP4A11ALDH1A1MAPTLMNA | |
| SCHEMBL77470 | 0.65 | CYP3A4 (0.48) | TSHRALDH1A1MAPTLMNATDP1 | |
| SCHEMBL2926744 | 0.65 | TDP1 (0.37) | ALDH1A1MAPTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL8856431 | 0.64 | LMNA (0.45) | TSHRALDH1A1LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1043308-B1 | PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME | KISSEI PHARMACEUTICAL (JP) | 2003-09-24 | — | — | EP | disclosed |