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 | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 3/20 | 0.44 |
| ▸ | PNP | P00491 | 1/20 | 0.43 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 4/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL2983851 | 0.92 | PNP (0.49) | MGMTPNPGDADPP4CYP1A2 | |
| Water SCHEMBL9697811 | 0.91 | PNP (0.47) | MGMTPNPGDADPP4CYP1A2 | |
| Sulfuric Acid SCHEMBL9697728 | 0.85 | CYP2C19 (0.43) | MGMTPNPGDADPP4CYP1A2 | |
| Benzene SCHEMBL8024450 | 0.81 | MGMT (0.43) | MGMTPNPGDADPP4CYP1A2 | |
| SCHEMBL218669 | 0.81 | MGMT (0.45) | MGMTPNPGDADPP4CYP1A2 | |
| Bromide SCHEMBL8165615 | 0.79 | MGMT (0.44) | MGMTPNPGDADPP4CYP1A2 | |
| SCHEMBL6265343 | 0.77 | PDE4A (0.55) | MGMTPNPGDACDK2CDK1 | |
| SCHEMBL28559768 | 0.76 | MGMT (0.41) | MGMTPNPGDADPP4CYP1A2 | |
| Acetic Acid SCHEMBL4280720 | 0.76 | ADORA2B (0.57) | CDK2CDK1CCNB1CCNA2CCNA1 | |
| SCHEMBL6821773 | 0.76 | PNP (0.45) | MGMTPNPGDADPP4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007105849-A1 | COMPOSITION FOR HAIR COLOR AND PREPARATION METHOD THEREOF | PARK JEONG KEUM (KR) | 2007-09-20 | — | — | WO | disclosed |