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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10438413 | 0.91 | CYP17A1 (0.46) | CYP17A1KDM4ETBXAS1CYP19A1 | |
| Acetic Acid SCHEMBL27628963 | 0.83 | KDM4E (0.52) | CYP17A1KDM4ETBXAS1KMT2A | |
| SCHEMBL18045656 | 0.81 | CYP17A1 (0.49) | CYP17A1TBXAS1CYP19A1 | |
| Acetic Acid SCHEMBL27980247 | 0.78 | CYP17A1 (0.41) | CYP17A1KDM4ETBXAS1CYP24A1CYP26A1 | |
| SCHEMBL28196440 | 0.78 | TBXAS1 (0.47) | CYP17A1TBXAS1TBXA2R | |
| SCHEMBL5513660 | 0.78 | CYP17A1 (0.46) | CYP17A1KDM4ETBXAS1ALDH1A1CYP24A1 | |
| Bicarbonate SCHEMBL28144511 | 0.78 | KDM4E (0.54) | CYP17A1KDM4ETBXAS1ALDH1A1KMT2A | |
| SCHEMBL11593809 | 0.78 | TBXAS1 (0.47) | CYP17A1TBXAS1TBXA2R | |
| SCHEMBL28278661 | 0.78 | TBXAS1 (0.47) | CYP17A1TBXAS1TBXA2R | |
| Pyruvate SCHEMBL28761913 | 0.78 | KDM4E (0.50) | CYP17A1KDM4ETBXAS1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2110467-B1 | Cellulose carbamate spinning solution, and method for producing a cellulose carbamate non-woven fabric | FRAUNHOFER GES FORSCHUNG (DE) | 2010-09-22 | — | — | EP | claimed |