Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 11/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3664250 | 0.89 | GSK3B (0.43) | GSK3BCYP2D6P2RY12KDM4EUSP2 | |
| SCHEMBL3664584 | 0.87 | GSK3B (0.46) | GSK3BCYP2D6 | |
| SCHEMBL1168937 | 0.86 | GSK3B (0.46) | GSK3BP2RY12USP2ALDH1A1HPGD | |
| SCHEMBL3662330 | 0.84 | GSK3B (0.47) | GSK3BCYP2D6P2RY12SCDSCD5 | |
| SCHEMBL3665691 | 0.84 | GSK3B (0.45) | GSK3BCYP2D6 | |
| SCHEMBL3662447 | 0.84 | GSK3B (0.45) | GSK3BCYP2D6NOS2 | |
| Hydrochloric Acid SCHEMBL3665578 | 0.83 | GSK3B (0.47) | GSK3BCYP2D6P2RY12SCDSCD5 | |
| SCHEMBL3659037 | 0.82 | GSK3B (0.43) | GSK3BCYP2D6KDM4EHPGDHSD17B10 | |
| SCHEMBL3665624 | 0.82 | GSK3B (0.44) | GSK3BP2RY12ALDH1A1 | |
| SCHEMBL3663427 | 0.81 | GSK3B (0.41) | GSK3BKDM4EALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |