Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 10/20 | 0.54 |
| ▸ | AURKA | O14965 | 9/20 | 0.54 |
| ▸ | SRC | P12931 | 5/20 | 0.54 |
| ▸ | GSK3B | P49841 | 5/20 | 0.54 |
| ▸ | AURKC | Q9UQB9 | 3/20 | 0.52 |
| ▸ | MOK | Q9UQ07 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7149384 | 0.91 | AURKB (0.52) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2202480 | 0.91 | AURKB (0.56) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL12430591 | 0.85 | AURKB (0.74) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL7152255 | 0.84 | HTT (0.47) | AURKBAURKASRCGSK3BALDH1A1 | |
| SCHEMBL2206857 | 0.82 | AURKB (0.53) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL7152258 | 0.81 | AURKA (0.43) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL7150403 | 0.79 | AURKA (0.60) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2203359 | 0.77 | AURKB (0.75) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL12430594 | 0.77 | AURKB (0.70) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2204183 | 0.75 | HPGDS (0.51) | AURKBAURKASRCGSK3BALDH1A1 |
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 |