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 | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 SCHEMBL27751674 | 0.98 | EPHX2 (0.54) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Bicarbonate SCHEMBL28494347 | 0.92 | EPHX2 (0.55) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Acetic Acid SCHEMBL3645976 | 0.92 | EPHX2 (0.55) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Bicarbonate SCHEMBL5377762 | 0.92 | EPHX2 (0.55) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Acetic Acid SCHEMBL28730807 | 0.90 | EPHX2 (0.54) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Methyl Alcohol SCHEMBL25250336 | 0.89 | EPHX2 (0.56) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Methyl Alcohol SCHEMBL284907 | 0.89 | EPHX2 (0.56) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Methyl Alcohol SCHEMBL27780506 | 0.89 | EPHX2 (0.56) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Methyl Alcohol SCHEMBL10778854 | 0.89 | EPHX2 (0.56) | EPHX2FAAHRECQLTSHRMAPK1 | |
| Methyl Alcohol SCHEMBL135872 | 0.89 | EPHX2 (0.56) | EPHX2FAAHRECQLTSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107907618-A | The detection method of homocysteine and cysteine in rat plasma | 重庆医科大学 | 2018-04-13 | — | — | CN | disclosed |