Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 8/20 | 0.52 |
| ▸ | AURKA | O14965 | 7/20 | 0.52 |
| ▸ | GSK3B | P49841 | 6/20 | 0.52 |
| ▸ | SRC | P12931 | 5/20 | 0.52 |
| ▸ | AURKC | Q9UQB9 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.44 |
| ▸ | MOK | Q9UQ07 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2206857 | 0.91 | AURKB (0.53) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL7143467 | 0.91 | AURKB (0.54) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL12430594 | 0.86 | AURKB (0.70) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL7152255 | 0.84 | HTT (0.47) | AURKBAURKAGSK3BSRCLMNA | |
| SCHEMBL2202480 | 0.82 | AURKB (0.56) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL7152258 | 0.79 | AURKA (0.43) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL7150403 | 0.77 | AURKA (0.60) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL12430591 | 0.77 | AURKB (0.74) | AURKBAURKAGSK3BSRCAURKC | |
| SCHEMBL2204183 | 0.75 | HPGDS (0.51) | AURKBAURKAGSK3BSRCLMNA | |
| SCHEMBL2203359 | 0.75 | AURKB (0.75) | AURKBAURKAGSK3BSRCAURKC |
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 |