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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CAMK2D | Q13557 | 6/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | STK33 | Q9BYT3 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | TEC | P42680 | 1/20 | 0.31 |
| ▸ | BMX | P51813 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
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 SCHEMBL8368713 | 0.90 | STK33 (0.40) | CAMK2DKDM4EGSK3BSTK33 | |
| Acetic Acid SCHEMBL7659478 | 0.90 | CAMK2D (0.38) | CAMK2DGSK3B | |
| Acetic Acid SCHEMBL7661625 | 0.89 | CAMK2D (0.34) | CAMK2DGSK3BSTK33RPS6KB1 | |
| Acetic Acid SCHEMBL7656316 | 0.88 | CAMK2D (0.37) | CAMK2DGSK3BSTK33RPS6KB1 | |
| Acetic Acid SCHEMBL7659844 | 0.88 | CAMK2D (0.33) | CAMK2DGSK3BSTK33RPS6KB1 | |
| Acetic Acid SCHEMBL8366860 | 0.87 | STK33 (0.39) | CAMK2DGSK3BSTK33 | |
| Acetic Acid SCHEMBL7657211 | 0.87 | CAMK2D (0.46) | CAMK2DGSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL7654495 | 0.87 | GSK3B (0.34) | CAMK2DGSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL7656551 | 0.86 | TPH1 (0.37) | CAMK2DKDM4EGSK3B | |
| Acetic Acid SCHEMBL8368566 | 0.85 | CAMK2D (0.37) | CAMK2DKDM4EGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |