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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 SCHEMBL28559169 | 0.97 | FFAR3 (0.37) | FFAR3LCKFYNALDH1A1TDP1 | |
| SCHEMBL1157607 | 0.97 | ALDH1A1 (0.35) | FFAR3LCKFYNALDH1A1TDP1 | |
| SCHEMBL28900863 | 0.94 | ALDH1A1 (0.33) | FFAR3LCKFYNALDH1A1TDP1 | |
| SCHEMBL1681817 | 0.94 | ALDH1A1 (0.33) | FFAR3LCKFYNALDH1A1TDP1 | |
| SCHEMBL610850 | 0.94 | ALDH1A1 (0.33) | FFAR3LCKFYNALDH1A1TDP1 | |
| SCHEMBL317604 | 0.87 | MEN1 (0.30) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| Isopropyl Alcohol SCHEMBL1305057 | 0.85 | TP53 (0.32) | — | |
| Isopropyl Alcohol SCHEMBL9765265 | 0.85 | TP53 (0.32) | — | |
| Isopropyl Alcohol SCHEMBL9453194 | 0.85 | TP53 (0.32) | — | |
| Isopropyl Alcohol SCHEMBL1720333 | 0.85 | TP53 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0572472-B1 | COATING POWDERS | ALCAN INT LTD (CA) | 1996-07-31 | — | — | EP | disclosed |
| EP-0572472-A1 | COATING POWDERS. | ALCAN INT LTD (CA) | 1993-12-08 | — | — | EP | disclosed |
| WO-1992014792-A1 | COATING POWDERS | ALCAN INTERNATIONAL LIMITED (CA) | 1992-09-03 | — | — | WO | disclosed |