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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CDC25A | P30304 | 7/20 | 0.41 |
| ▸ | CDC25B | P30305 | 7/20 | 0.41 |
| ▸ | CDC25C | P30307 | 6/20 | 0.41 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 9/20 | 0.35 |
| ▸ | MPEG1 | Q2M385 | 7/20 | 0.35 |
| ▸ | XIAP | P98170 | 2/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL114204 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL2947589 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL7051769 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL20819043 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL10385817 | 0.77 | GAA (0.36) | ALDH1A1 | |
| Acetic Acid SCHEMBL9004888 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL4237197 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL11767300 | 0.74 | CYP4F2 (0.44) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL8069818 | 0.74 | ALOX5 (0.42) | ALDH1A1TDP1LMNAPOLBRECQL | |
| SCHEMBL4247967 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TDP1LMNAPOLBRECQL |
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 3 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 |
| US-5302745-A | Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates | FIRMENICH S.A. (CH) | 1994-04-12 | — | — | US | claimed |
| US-5302745-A | Process for the preparation of alkyl 3-oxo-2-pentyl-1-cyclopentene acetates | FIRMENICH S.A. (CH) | 1994-04-12 | — | — | US | disclosed |