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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAT2A | P31153 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 8/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL6975870 | 0.98 | SMN1; SMN2 (0.48) | F2RL3SMN1; SMN2NPC1GAAMAT2A | |
| SCHEMBL6975872 | 0.85 | CNR1 (0.44) | F2RL3CNR1CAMK2DPIM1CCNT1 | |
| SCHEMBL6981835 | 0.83 | CAMK2D (0.43) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| SCHEMBL7671215 | 0.83 | CAMK2D (0.49) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL6978549 | 0.81 | GSK3B (0.39) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| SCHEMBL6977088 | 0.81 | CAMK2D (0.43) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| Acetic Acid SCHEMBL6983431 | 0.80 | CAMK2D (0.48) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL6983727 | 0.80 | CAMK2D (0.44) | CAMK2DPIM1CCNT1CCNA2CDK2 | |
| Trifluoroacetic Acid SCHEMBL6980387 | 0.80 | CAMK2D (0.39) | CNR1CAMK2DPIM1CCNT1CCNA2 | |
| SCHEMBL6980479 | 0.77 | CAMK2D (0.45) | CAMK2DPIM1CCNT1CCNA2CDK2 |
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-6346625-B1 | ENZYME INHIBITORS FOR PROTEIN KINASES | ASTRAZENECA AB (SE) | 2002-02-12 | — | — | US | disclosed |