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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11004132 | 0.91 | BRD4 (0.41) | BRD4THRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11527220 | 0.82 | THRB (0.39) | THRBCYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL53075 | 0.81 | — | — | |
| SCHEMBL4582742 | 0.78 | THRB (0.43) | THRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8177320 | 0.78 | THRB (0.41) | THRBCYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL15236714 | 0.78 | THRB (0.41) | THRBCYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL24289080 | 0.77 | KDM5A (0.39) | THRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2692211 | 0.77 | NOS1 (0.44) | THRBMAPT | |
| SCHEMBL9207187 | 0.77 | — | — | |
| Acetic Acid SCHEMBL4901860 | 0.77 | CYP1A2 (0.43) | ESR2 |
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-20080032913-A1 | Masking of mineral oil odor and fragrancing of mineral oils | SYMRISE GMBH & CO. KG (DE) | 2008-02-07 | — | — | US | claimed |