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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371364 | 0.97 | THRB (0.41) | THRBHCAR2CYP2C19PABPC1APOBEC3A | |
| SCHEMBL17844649 | 0.95 | THRB (0.41) | THRBHCAR2CYP2C19PABPC1APOBEC3A | |
| Methacrylic Acid SCHEMBL27994748 | 0.93 | KLK7 (0.37) | THRBHCAR2CYP2C19PABPC1APOBEC3A | |
| Propionic Acid SCHEMBL28013214 | 0.92 | THRB (0.39) | THRBHCAR2CYP2C19PABPC1APOBEC3A | |
| SCHEMBL28013206 | 0.91 | HCAR2 (0.41) | THRBHCAR2CYP2C19LMNAKLK7 | |
| Sulfuric Acid SCHEMBL28055050 | 0.91 | THRB (0.38) | THRBHCAR2CYP2C19PABPC1APOBEC3A | |
| 3-Methylbutanoic Acid SCHEMBL28013211 | 0.87 | FFAR1 (0.41) | THRBHCAR2CYP2C19LMNAALDH1A1 | |
| SCHEMBL3171202 | 0.84 | THRB (0.40) | THRBHCAR2CYP2C19THRAPOLB | |
| SCHEMBL12391681 | 0.84 | THRB (0.38) | THRBTHRAHPGDMAPT | |
| SCHEMBL17439438 | 0.84 | HCAR2 (0.40) | THRBHCAR2CYP2C19PABPC1APOBEC3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104937149-A | Polyurethane fiber | TORAY OPELONTEX CO LTD | 2015-09-23 | — | — | CN | disclosed |