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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 3/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PNLIP | P16233 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL23868641 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL13987815 | 0.85 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL10524433 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4351885 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL10524625 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2926420 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5675289 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL15494524 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5675292 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5680004 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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-5571939-A | PERFUMES AND INTERMEDIATES | BASF CORPORATION (US) | 1996-11-05 | — | — | US | disclosed |