Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 17/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 14/20 | 0.49 |
| ▸ | SRC | P12931 | 10/20 | 0.49 |
| ▸ | AURKA | O14965 | 17/20 | 0.47 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147025 | 0.87 | GSK3B (0.49) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2202837 | 0.87 | AURKA (0.59) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2204737 | 0.86 | GSK3B (0.56) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2203192 | 0.86 | AURKA (0.52) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2202710 | 0.86 | AURKA (0.54) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2207199 | 0.84 | AURKA (0.64) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2203453 | 0.83 | AURKA (0.62) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL6917206 | 0.82 | ULK1 (0.49) | GSK3BSRCAURKA | |
| SCHEMBL2203080 | 0.82 | GSK3B (0.66) | GSK3BAURKBSRCAURKAAURKC | |
| SCHEMBL2203373 | 0.82 | GSK3B (0.54) | GSK3BAURKBSRCAURKAAURKC |
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-1345922-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002066461-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-29 | — | — | WO | disclosed |