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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27980234 | 0.92 | GAA (0.42) | SMN1; SMN2MAPTL3MBTL1GAATAAR1 | |
| SCHEMBL27980233 | 0.89 | CHRM3 (0.39) | SMN1; SMN2MAPTL3MBTL1GAAHPGD | |
| SCHEMBL28276829 | 0.88 | CYP2D6 (0.36) | SMN1; SMN2MAPTL3MBTL1GAATAAR1 | |
| Acetic Acid SCHEMBL27980670 | 0.84 | GAA (0.50) | SMN1; SMN2MAPTL3MBTL1GAAHPGD | |
| SCHEMBL27980239 | 0.84 | CHRM2 (0.33) | SMN1; SMN2MAPTL3MBTL1GAAHPGD | |
| Diethyl Hydrogen Phosphate SCHEMBL27980241 | 0.82 | TSHR (0.36) | GAAHPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL28841461 | 0.80 | CHRNA7 (0.36) | SMN1; SMN2MAPTHPGDTAAR1ALDH1A1 | |
| SCHEMBL12220240 | 0.74 | GAA (0.60) | SMN1; SMN2MAPTGAAHPGDALDH1A1 | |
| Bromide SCHEMBL2195679 | 0.73 | ALDH1A1 (0.41) | GAAALDH1A1KMT2AMEN1CYP2C9 | |
| SCHEMBL27980063 | 0.73 | GAA (0.46) | SMN1; SMN2GAAKMT2AMEN1CYP2C19 |
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-104136585-A | Imidazolium salts as additives for fuels and combustibles | BASF SE | 2014-11-05 | — | — | CN | disclosed |