Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 7/20 | 0.43 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4210663 | 0.86 | GSK3B (0.48) | ROCK1GSK3BCYP46A1CYP1A2CYP3A4 | |
| SCHEMBL4209348 | 0.81 | GSK3B (0.50) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL4217864 | 0.78 | GSK3B (0.41) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL4380859 | 0.76 | GSK3B (0.40) | ROCK1GSK3BCYP1A2CYP2C9CYP2D6 | |
| SCHEMBL3658356 | 0.74 | GSK3B (0.48) | GSK3B | |
| SCHEMBL3398094 | 0.74 | GSK3B (0.39) | GSK3BCYP1A2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL3668510 | 0.74 | DRD4 (0.45) | CYP46A1CYP1A2CYP3A4CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL4212507 | 0.74 | GSK3B (0.47) | GSK3BCYP2D6 | |
| SCHEMBL3662202 | 0.71 | KDM4E (0.45) | ROCK1GSK3BCYP46A1CYP2D6ALDH1A1 | |
| SCHEMBL2065004 | 0.71 | PRKACA (0.47) | ROCK1GSK3B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507475-B2 | Substituted heteroarylamide diazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-13 | — | — | US | claimed |
| EP-2238140-B1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI SA (FR) | 2013-07-17 | — | — | EP | claimed |
| EP-2090579-A1 | Substituted heteroarylamide diazepinopyrimidone derivatives | Sanofi-Aventis (FR) | 2009-08-19 | — | — | EP | claimed |
| US-8507475-B2 | Substituted heteroarylamide diazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-13 | — | — | US | disclosed |
| EP-2238140-B1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI SA (FR) | 2013-07-17 | — | — | EP | disclosed |
| EP-2090579-A1 | Substituted heteroarylamide diazepinopyrimidone derivatives | Sanofi-Aventis (FR) | 2009-08-19 | — | — | EP | disclosed |