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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 16/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 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 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 SCHEMBL7012664 | 0.77 | CAMK2D (0.56) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| Acetic Acid SCHEMBL7013299 | 0.77 | CAMK2D (0.53) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| SCHEMBL7007656 | 0.71 | CAMK2D (0.57) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| SCHEMBL7005430 | 0.71 | CAMK2D (0.59) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| SCHEMBL7004584 | 0.71 | CAMK2D (0.61) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| Trifluoroacetic Acid SCHEMBL7009849 | 0.70 | CAMK2D (0.51) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| SCHEMBL7007889 | 0.69 | CAMK2D (0.62) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| Trifluoroacetic Acid SCHEMBL7011017 | 0.69 | CAMK2D (0.54) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| Acetic Acid SCHEMBL7817844 | 0.67 | CAMK2D (0.48) | CAMK2DRPS6KB1PIM1PRKACAPRKACG | |
| SCHEMBL7007161 | 0.67 | CAMK2D (0.57) | CAMK2DRPS6KB1PIM1PRKACAPRKACG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192150-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078750-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-28 | — | — | WO | disclosed |