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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.55 |
| ▸ | TSPO | P30536 | 1/20 | 0.53 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 3/20 | 0.47 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| Pyruvate SCHEMBL14894821 | 0.95 | GAA (0.51) | GAAALDH1A1CTNNB1TSPORCE1 | |
| SCHEMBL30617018 | 0.88 | GAA (0.62) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| SCHEMBL5723 | 0.88 | GAA (0.62) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| Hydrochloric Acid SCHEMBL50730 | 0.86 | GAA (0.60) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| Diphenylether SCHEMBL9549269 | 0.86 | GAA (0.60) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| Sulfuric Acid SCHEMBL4220269 | 0.85 | GAA (0.51) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| Phosphoric Acid SCHEMBL5253926 | 0.85 | GAA (0.51) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| Sulfuric Acid SCHEMBL1275629 | 0.85 | GAA (0.51) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| SCHEMBL4259559 | 0.84 | GAA (0.58) | GAAALDH1A1CTNNB1RCE1CYP1A2 | |
| SCHEMBL4262228 | 0.84 | GAA (0.62) | GAAALDH1A1CTNNB1RCE1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0721944-B1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LTD (JP) | 2001-01-17 | — | — | EP | disclosed |
| US-5691335-A | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0721944-A1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LIMITED (JP) | 1996-07-17 | — | — | EP | disclosed |