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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | WRN | Q14191 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 3/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7584719 | 0.90 | ALDH1A1 (0.36) | ALDH1A1BLMTSHRHPGDPTGS1 | |
| SCHEMBL28453296 | 0.73 | MGLL (0.54) | ALDH1A1BLMHPGDGSK3AGSK3B | |
| Acetic Acid SCHEMBL7261899 | 0.72 | FFAR3 (0.50) | ALDH1A1TSHRLMNAPRKCEGAA | |
| Acetic Acid SCHEMBL774951 | 0.72 | FFAR3 (0.50) | ALDH1A1TSHRLMNAPRKCEGAA | |
| SCHEMBL14789767 | 0.71 | MGLL (0.37) | ALDH1A1BLMCYP1A2HPGDCYP2C19 | |
| SCHEMBL4591593 | 0.70 | PTGS1 (0.38) | ALDH1A1BLMTSHRCYP1A2HPGD | |
| SCHEMBL15665488 | 0.69 | MGLL (0.45) | ALDH1A1TSHRGAAMGLLMAPT | |
| SCHEMBL16632727 | 0.69 | MGLL (0.45) | ALDH1A1TSHRGAAMGLLMAPT | |
| SCHEMBL23052956 | 0.67 | DGKA (0.39) | ALDH1A1BLMTSHRCYP1A2HPGD | |
| SCHEMBL17173822 | 0.67 | ALDH1A1 (0.40) | ALDH1A1BLMGSK3AGSK3BLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1339127-A1 | SOLID POLYMER ELECTROLYTE AND CELL CONTAINING THE ELECTROLYTE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-08-27 | — | — | EP | disclosed |