Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.55 |
| ▸ | GSK3A | P49840 | 3/20 | 0.52 |
| ▸ | GSK3B | P49841 | 3/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL786159 | 0.86 | MEN1 (0.61) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL785493 | 0.86 | MAPT (0.60) | GSK3AGSK3BAURKASRCEIF2AK2 | |
| SCHEMBL786225 | 0.84 | MAPT (0.63) | GSK3AGSK3BAURKASRCEIF2AK2 | |
| SCHEMBL786419 | 0.84 | ABCG2 (0.58) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL801973 | 0.84 | GSK3A (0.51) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL786448 | 0.82 | ABCG2 (0.61) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL785982 | 0.82 | PDE5A (0.52) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL786163 | 0.82 | GSK3A (0.56) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL802574 | 0.82 | MAPK1 (0.53) | ADORA3GSK3AGSK3BAURKASRC | |
| SCHEMBL786514 | 0.82 | MEN1 (0.55) | ADORA3GSK3AGSK3BAURKASRC |
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-20040116454-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-17 | — | — | US | disclosed |