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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 15/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | PRKACG | P22612 | 1/20 | 0.41 |
| ▸ | PRKACB | P22694 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 SCHEMBL7664145 | 0.98 | CAMK2D (0.44) | CAMK2DPIM1RPS6KB1CA12CA1 | |
| Acetic Acid SCHEMBL7663928 | 0.97 | CAMK2D (0.41) | CAMK2DPIM1RPS6KB1CA12CA1 | |
| Acetic Acid SCHEMBL7657116 | 0.96 | CAMK2D (0.41) | CAMK2DPIM1RPS6KB1CA12CA1 | |
| Acetic Acid SCHEMBL7653821 | 0.90 | CAMK2D (0.40) | CAMK2DGSK3B | |
| Acetic Acid SCHEMBL7665440 | 0.89 | CAMK2D (0.51) | CAMK2DPIM1RPS6KB1PRKACAPRKACG | |
| Acetic Acid SCHEMBL7666391 | 0.88 | CAMK2D (0.40) | CAMK2DGSK3B | |
| Acetic Acid SCHEMBL7662837 | 0.88 | PDE4B (0.39) | GSK3B | |
| Acetic Acid SCHEMBL7815740 | 0.88 | CAMK2D (0.47) | CAMK2DPIM1RPS6KB1CA12CA1 | |
| Acetic Acid SCHEMBL7664719 | 0.87 | CAMK2D (0.41) | CAMK2DPIM1RPS6KB1CA12CA1 | |
| Acetic Acid SCHEMBL7661729 | 0.87 | MC4R (0.38) | CAMK2D |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |