Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL3667749 | 0.92 | HPGD (0.40) | GSK3BALDH1A1KDM4EKMT2AP2RY12 | |
| SCHEMBL3662763 | 0.88 | GSK3B (0.49) | GSK3BCYP2D6 | |
| SCHEMBL2066786 | 0.87 | GSK3B (0.47) | GSK3BCYP2D6MEN1KMT2AHCRTR1 | |
| SCHEMBL3660413 | 0.87 | KCNMA1 (0.41) | GSK3BALDH1A1P2RY12SMN1; SMN2LMNA | |
| SCHEMBL2064820 | 0.86 | GSK3B (0.48) | GSK3BCYP2D6HCRTR1HCRTR2 | |
| SCHEMBL2065579 | 0.86 | GSK3B (0.46) | GSK3BCYP2D6ALDH1A1MEN1KMT2A | |
| SCHEMBL3657923 | 0.82 | NOS1 (0.44) | GSK3BCYP2D6ALDH1A1KDM4EP2RY12 | |
| SCHEMBL3397799 | 0.82 | GSK3B (0.44) | GSK3BCYP2D6HCRTR1HCRTR2 | |
| SCHEMBL3664584 | 0.82 | GSK3B (0.46) | GSK3BCYP2D6MEN1KMT2ALMNA | |
| SCHEMBL3662679 | 0.82 | GSK3B (0.44) | GSK3BCYP2D6ALDH1A1SMN1; SMN2HPGD |
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-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | claimed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | claimed |