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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4550656 | 0.90 | EPHX1 (0.47) | EPHX1ALDH1A1CYP1A2ALOX5MEN1 | |
| SCHEMBL20576664 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL5707836 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL28757033 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL14130542 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL11631752 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL17781896 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL20576991 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL20576276 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT | |
| SCHEMBL251690 | 0.89 | EPHX1 (0.61) | EPHX1ALDH1A1CYP1A2MEN1HTT |
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-20090306314-A1 | METHOD FOR PRODUCING OLEFIN POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |