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 | 2/20 | 0.36 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 7/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL430340 | 0.96 | CYP1A2 (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL4365780 | 0.96 | CYP1A2 (0.47) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| Acetic Acid SCHEMBL19552669 | 0.82 | MAPT (0.45) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL16314168 | 0.80 | MAPT (0.53) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL27389193 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL28755135 | 0.78 | KIF11 (0.40) | CYP2D6HIF1AKIF11 | |
| SCHEMBL10910381 | 0.78 | ALDH1A1 (0.39) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL17582896 | 0.78 | CYP2D6 (0.46) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL9683891 | 0.78 | CYP2D6 (0.46) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 | |
| SCHEMBL20184852 | 0.78 | CYP2D6 (0.46) | CYP1A2CYP2D6MAPTKMT2ACYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695166-A1 | PERFUME COMPOSITION | QUEST INTERNATIONAL NEDERLAND BV (NL) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024999-A2 | PERFUME COMPOSITION | QUEST INTERNATIONAL B.V. (NL) | 1994-11-10 | — | — | WO | disclosed |