Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL246097 | 0.97 | PPARD (0.64) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL4958482 | 0.94 | PPARD (0.61) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL2483283 | 0.85 | PPARD (0.52) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL11588163 | 0.85 | PPARD (0.52) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL2480106 | 0.84 | — | — | |
| SCHEMBL22498341 | 0.82 | CYP3A4 (0.52) | PPARDTSHRCA12CA1CA2 | |
| SCHEMBL2482314 | 0.79 | PPARD (0.50) | PPARDTSHRTP53TDP1GAA | |
| Triethyl Phosphate SCHEMBL28464376 | 0.77 | TSHR (0.81) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL993811 | 0.76 | PPARD (1.00) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL2477131 | 0.76 | PPARD (0.41) | PPARDTSHRMEN1KMT2A |
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-5710138-A | Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-20 | — | — | US | disclosed |