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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | PTPRA | P18433 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 SCHEMBL28068324 | 0.98 | CYP1A2 (0.53) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| SCHEMBL19232212 | 0.90 | HRH1 (0.59) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA | |
| SCHEMBL24490 | 0.88 | — | — | |
| SCHEMBL31140119 | 0.88 | — | — | |
| Methane SCHEMBL3061813 | 0.86 | HRH1 (0.59) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL945712 | 0.86 | HRH1 (0.59) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA | |
| Water SCHEMBL7380191 | 0.86 | HRH1 (0.59) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA | |
| Toluene SCHEMBL2976196 | 0.85 | HRH1 (0.50) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1LMNA | |
| Acetic Acid SCHEMBL28688769 | 0.85 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR | |
| Piconol SCHEMBL4654105 | 0.85 | ALDH1A1 (0.54) | CYP1A2SMN1; SMN2CYP2C19ALDH1A1TSHR |
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-109535941-B | Barrier UV (ultraviolet) curing organic/inorganic compound and preparation method and application thereof | 东莞市派乐玛新材料技术开发有限公司 | 2021-08-10 | — | — | CN | disclosed |