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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 10/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKCB | P05771 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.41 |
| ▸ | PRKCH | P24723 | 2/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6977746 | 0.95 | CAMK2D (0.51) | CAMK2DPIM1PRKCBPRKCAPRKCH | |
| SCHEMBL6975973 | 0.84 | CAMK2D (0.53) | CAMK2DPIM1PRKCACCNT1CDK9 | |
| Acetic Acid SCHEMBL6983601 | 0.83 | CAMK2D (0.52) | CAMK2DPIM1PRKCBPRKCAPRKCH | |
| SCHEMBL6980479 | 0.83 | CAMK2D (0.45) | CAMK2DPIM1CCNT1CDK9CCNA2 | |
| Trifluoroacetic Acid SCHEMBL6982808 | 0.82 | CAMK2D (0.46) | CAMK2DPIM1PRKCBPRKCAPRKCH | |
| SCHEMBL6975872 | 0.82 | CNR1 (0.44) | CAMK2DPIM1CCNT1CDK9CCNA2 | |
| Trifluoroacetic Acid SCHEMBL6985258 | 0.82 | CAMK2D (0.39) | CAMK2DPIM1CCNT1CDK9CCNA2 | |
| SCHEMBL6977406 | 0.81 | CAMK2D (0.56) | CAMK2DPIM1CCNT1CDK9RPS6KB1 | |
| Acetic Acid SCHEMBL7679495 | 0.80 | F2RL3 (0.47) | CAMK2DPIM1CCNT1CDK9CCNA2 | |
| SCHEMBL6979319 | 0.80 | CAMK2D (0.52) | CAMK2DPIM1PRKCBPRKCAPRKCH |
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-1095039-B1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2003-08-27 | — | — | EP | disclosed |
| US-6346625-B1 | ENZYME INHIBITORS FOR PROTEIN KINASES | ASTRAZENECA AB (SE) | 2002-02-12 | — | — | US | disclosed |