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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28343699 | 0.88 | CA12 (0.39) | KMOMAPTSMN1; SMN2HSP90AA1HSP90AB1 | |
| Benzene SCHEMBL28772928 | 0.87 | KMO (0.56) | KMOMAPTSMN1; SMN2KDM4ELMNA | |
| Acetic Acid SCHEMBL734741 | 0.87 | KMO (0.56) | KMOMAPTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL28274474 | 0.84 | — | — | |
| Lactic Acid SCHEMBL11565204 | 0.82 | TP53 (0.46) | KMOMAPTSMN1; SMN2HSP90AA1HSP90AB1 | |
| Methane SCHEMBL28403059 | 0.81 | — | — | |
| SCHEMBL10029714 | 0.81 | CA12 (0.54) | KMOMAPTSMN1; SMN2HSP90AA1LMNA | |
| SCHEMBL29139764 | 0.81 | CA12 (0.48) | KMOMAPTSMN1; SMN2HSP90AA1KDM4E | |
| SCHEMBL9079460 | 0.80 | CA12 (0.45) | KMOSMN1; SMN2HSP90AA1HSP90AB1CA12 | |
| SCHEMBL27853599 | 0.79 | TSHR (0.47) | KMOMAPTKDM4ELMNAACMSD |
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-0485158-A2 | Esters and amides of substituted phenyl acetic acids | FGN, INC. (US) | 1992-05-13 | — | — | EP | disclosed |