Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | GRK6 | P43250 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | GCK | P35557 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2203155 | 0.83 | GSK3B (0.53) | AURKASRCGSK3BALDH1A1HPGD | |
| SCHEMBL2205414 | 0.78 | AURKA (0.47) | AURKASRCGSK3BALDH1A1HPGD | |
| SCHEMBL2206539 | 0.74 | SRC (0.44) | AURKASRCGSK3BADORA3ADORA2A | |
| SCHEMBL786689 | 0.72 | LMNA (0.50) | AURKASRCGSK3BALDH1A1HPGD | |
| SCHEMBL2202604 | 0.72 | PAK4 (0.43) | AURKASRCGSK3BDRD2DRD4 | |
| SCHEMBL2205082 | 0.72 | AURKA (0.67) | AURKASRCGSK3BHTT | |
| SCHEMBL2206631 | 0.71 | SLC2A1 (0.48) | AURKASRCGSK3BIGF1RALDH1A1 | |
| SCHEMBL3769795 | 0.70 | AURKA (0.35) | AURKASRCGSK3BGRK6IGF1R | |
| Anisole SCHEMBL27595360 | 0.70 | APP (0.50) | AURKAGSK3BALDH1A1ADORA2A | |
| SCHEMBL6820767 | 0.70 | AURKA (0.35) | AURKAGRK6IGF1RPAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1355905-B1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2007-02-21 | — | — | EP | claimed |