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 | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 3/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
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 SCHEMBL27928896 | 0.92 | KDM4E (0.53) | PPARAKDM4EALOX5PTGS2ALDH1A1 | |
| SCHEMBL6898660 | 0.89 | ALOX5 (0.53) | PPARAKDM4EALOX5PTGS2ALDH1A1 | |
| SCHEMBL22560183 | 0.85 | LMNA (0.51) | PPARAKDM4EALOX5PTGS2ALDH1A1 | |
| SCHEMBL15344602 | 0.85 | PPARA (0.54) | PPARAKDM4EALOX5PTGS2ALDH1A1 | |
| SCHEMBL9814058 | 0.83 | ALOX5 (0.61) | PPARAALOX5PTGS2SLC2A1ELANE | |
| SCHEMBL9814043 | 0.82 | ALOX5 (0.59) | PPARAALOX5PTGS2SLC2A1ELANE | |
| SCHEMBL9814061 | 0.82 | ALOX5 (0.59) | PPARAALOX5PTGS2SLC2A1ELANE | |
| SCHEMBL9814049 | 0.82 | ALOX5 (0.59) | PPARAALOX5PTGS2SLC2A1ELANE | |
| Acetic Acid SCHEMBL27929003 | 0.82 | CA12 (0.53) | PPARAKDM4EALDH1A1LMNAHPGD | |
| SCHEMBL3827916 | 0.81 | LMNA (0.52) | PPARAKDM4EALOX5PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103467281-A | Phenol derivative and application thereof | WUHAN INNERSE PHARMACEUTICALS CO LTD | 2013-12-25 | — | — | CN | claimed |
| CN-103467281-B | A kind of phenol derivatives and application thereof | WUHAN INNERSE PHARMACEUTICALS CO., LTD. (CN) | 2016-03-23 | — | — | CN | disclosed |
| CN-103467281-A | Phenol derivative and application thereof | WUHAN INNERSE PHARMACEUTICALS CO LTD | 2013-12-25 | — | — | CN | disclosed |