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 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.39 |
| ▸ | PPARD | Q03181 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22423301 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL9410599 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL3318564 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL1326327 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL12488391 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL23352440 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL30628038 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL9410608 | 0.95 | PAOX (0.67) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL1327434 | 0.92 | PAOX (0.62) | PAOXALDH1A1SOAT1MEN1KMT2A | |
| SCHEMBL1326107 | 0.86 | — | — |
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-110461815-A | Sulfonic acid, carboxylic acid or their salt | DAIKIN IND LTD | 2019-11-15 | — | — | CN | disclosed |