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 | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 2/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8712864 | 0.78 | NPC1 (0.55) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL1256199 | 0.73 | HCAR3 (0.76) | RAB9AMEN1KMT2AHPGDHCAR3 | |
| SCHEMBL12349868 | 0.73 | HCAR3 (0.57) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29751355 | 0.72 | HCAR3 (0.55) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL8884318 | 0.70 | RAB9A (0.43) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL4066635 | 0.70 | HPGD (0.51) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL8710073 | 0.70 | SLC6A4 (0.43) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL14476937 | 0.69 | KEAP1 (0.53) | RAB9ANPC1MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL8710121 | 0.69 | SLC6A4 (0.43) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL28491707 | 0.67 | CES2 (0.52) | RAB9ANPC1MEN1KMT2AMAPT |
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-5746840-A | Process for preparing enantiomerically pure 6-{4-chlorophenyl) (1 H-1,2,4-triazol-1-YL) methyl}-1-methyl-1 H-benzotriazole | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-05-05 | — | — | US | disclosed |