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 | 1/20 | 0.47 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.58 |
| ▸ | AR | P10275 | 1/20 | 0.58 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.56 |
| ▸ | PPARA | Q07869 | 3/20 | 0.51 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | PPARD | Q03181 | 2/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6323578 | 0.94 | ALOX5 (0.66) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| SCHEMBL6325283 | 0.84 | PTGS1 (0.71) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| SCHEMBL2468115 | 0.84 | CYP3A4 (0.58) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL27608718 | 0.83 | ALDH1A1 (0.85) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL114133 | 0.83 | ALDH1A1 (0.85) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL29943804 | 0.83 | ALDH1A1 (0.85) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL27710638 | 0.81 | ALDH1A1 (0.82) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Methyleugenol SCHEMBL28484578 | 0.80 | PPARA (0.81) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL28883151 | 0.78 | ALDH1A1 (0.93) | ALOX5ALDH1A1CYP3A4PTGS1AR | |
| Eugenol SCHEMBL4652636 | 0.78 | ALDH1A1 (0.70) | ALOX5ALDH1A1CYP3A4PTGS1AR |
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-6844302-B1 | Encapsulated flavor and fragrance | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2005-01-18 | — | — | US | claimed |