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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | PTPRA | P18433 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL3396777 | 0.95 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL375765 | 0.93 | RAB9A (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Toluene SCHEMBL10939845 | 0.90 | MAPT (0.48) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL1714515 | 0.90 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Acetonitrile SCHEMBL10666479 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL2520545 | 0.86 | RAB9A (0.47) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Pyrrole SCHEMBL28308888 | 0.85 | RAB9A (0.46) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Acetic Acid SCHEMBL27435803 | 0.84 | CYP1A2 (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL9680519 | 0.83 | CYP1A2 (0.43) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL78000 | 0.82 | SMN1; SMN2 (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 |
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-6951602-B1 | Electrodeposition bath with water-soluble polyvinyl alcohol (co) polymers | BASF COATINGS AG (DE) | 2005-10-04 | — | — | US | disclosed |