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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27431229 | 1.00 | ALDH1A1 (0.33) | ALDH1A1FFAR3LCKFYNELANE | |
| Vinyl Ether SCHEMBL28116194 | 0.94 | — | — | |
| SCHEMBL8678717 | 0.93 | ELANE (0.33) | ALDH1A1ELANE | |
| SCHEMBL37236 | 0.93 | — | — | |
| Pivalate SCHEMBL9719466 | 0.91 | ALDH1A1 (0.33) | ALDH1A1ELANE | |
| Methyl Alcohol SCHEMBL29184354 | 0.90 | ELANE (0.32) | ALDH1A1ELANE | |
| Ethylene SCHEMBL27714277 | 0.90 | ELANE (0.32) | ALDH1A1ELANE | |
| SCHEMBL8372864 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| Acetamide SCHEMBL21049664 | 0.88 | LMNA (0.36) | ALDH1A1 | |
| Alcohol SCHEMBL7595942 | 0.84 | PRKCA (0.34) | ALDH1A1ELANE |
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-0513331-A1 | AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-11-19 | — | — | EP | disclosed |