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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL9004809 | 0.92 | ALDH1A1 (0.40) | GAAHTTGPR84ACHEBACE1 | |
| SCHEMBL357488 | 0.91 | ACHE (0.43) | GAAHTTGPR84ACHEBACE1 | |
| SCHEMBL11543697 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| SCHEMBL6896832 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| SCHEMBL6901931 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| SCHEMBL6903485 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| SCHEMBL243893 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| SCHEMBL6898154 | 0.90 | ACHE (0.46) | GPR84ACHEBACE1 | |
| Acetic Acid Methyl Ester SCHEMBL9004857 | 0.89 | ALOX5 (0.39) | GAAHTTGPR84ACHEBACE1 | |
| SCHEMBL31690643 | 0.88 | PPARA (0.36) | GAAHTTGPR84ACHEBACE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0583564-B1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH & CIE (CH) | 1996-10-09 | — | — | EP | claimed |
| EP-0583564-A1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH SA (CH) | 1994-02-23 | — | — | EP | claimed |
| EP-0583564-B1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH & CIE (CH) | 1996-10-09 | — | — | EP | disclosed |
| EP-0583564-B1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH & CIE (CH) | 1996-10-09 | — | — | EP | disclosed |
| EP-0583564-A1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH SA (CH) | 1994-02-23 | — | — | EP | disclosed |
| EP-0583564-A1 | Process for the preparation of 3-oxo-2-pentyl-1-cyclopentene alkyl acetates | FIRMENICH SA (CH) | 1994-02-23 | — | — | EP | disclosed |