Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 10/20 | 0.40 |
| ▸ | WDR5 | P61964 | 4/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL2065173 | 0.88 | MAPK13 (0.38) | GSK3BWDR5MAPK13MAPK12MAPK11 | |
| SCHEMBL3666373 | 0.86 | GSK3B (0.42) | GSK3BWDR5MAPK13MAPK12MAPK11 | |
| SCHEMBL3658243 | 0.83 | GSK3B (0.40) | GSK3BCYP2D6 | |
| SCHEMBL3662618 | 0.80 | ALDH1A1 (0.44) | GSK3BCYP2D6 | |
| SCHEMBL3655065 | 0.79 | GSK3B (0.42) | GSK3BCYP2D6 | |
| SCHEMBL3661770 | 0.78 | KDM4E (0.44) | GSK3B | |
| SCHEMBL3663404 | 0.78 | GSK3B (0.41) | GSK3BCYP2D6 | |
| SCHEMBL2067127 | 0.78 | HCRTR1 (0.41) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3661663 | 0.77 | GSK3B (0.42) | GSK3BCYP2D6 | |
| SCHEMBL3663942 | 0.76 | KCNMA1 (0.44) | GSK3B |
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 |