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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 12/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | PRKACG | P22612 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
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 SCHEMBL7655832 | 0.98 | CAMK2D (0.43) | CAMK2DPIM1RPS6KB1PRKACAPRKACG | |
| Acetic Acid SCHEMBL7655889 | 0.87 | CAMK2D (0.39) | CAMK2DPIM1GSK3B | |
| Acetic Acid SCHEMBL7657421 | 0.87 | PDE4A (0.38) | — | |
| Acetic Acid SCHEMBL7855046 | 0.86 | KDM4E (0.34) | CAMK2DPIM1GSK3B | |
| Acetic Acid SCHEMBL7664691 | 0.86 | POLB (0.36) | GSK3B | |
| Acetic Acid SCHEMBL7850579 | 0.85 | CAMK2D (0.41) | CAMK2DPIM1RPS6KB1PRKACAPRKACG | |
| Acetic Acid SCHEMBL7656377 | 0.85 | CDK4 (0.35) | GSK3B | |
| Acetic Acid SCHEMBL7656568 | 0.85 | CNR1 (0.38) | — | |
| Acetic Acid SCHEMBL7662883 | 0.85 | MAPT (0.36) | — | |
| Acetic Acid SCHEMBL7661522 | 0.85 | BDKRB2 (0.32) | CAMK2DPIM1RPS6KB1 |
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 |