Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 10/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.45 |
| ▸ | CDK9 | P50750 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531731 | 0.88 | TNIK (0.49) | PIK3CAJAK3IRAK4EGFRMKNK1 | |
| SCHEMBL6531231 | 0.87 | ROCK2 (0.47) | PIK3CAJAK3IRAK4PIK3CDPIK3CB | |
| SCHEMBL6529707 | 0.86 | PIK3CA (0.62) | PIK3CAPIK3CDPIK3CBPIK3CGEGFR | |
| SCHEMBL6531088 | 0.82 | KDM4E (0.57) | PIK3CAJAK3IRAK4MKNK1CCNT1 | |
| SCHEMBL6530951 | 0.82 | MKNK1 (0.51) | PIK3CAJAK3IRAK4EGFRFLT1 | |
| SCHEMBL6530590 | 0.79 | ABL1 (0.60) | PIK3CAEGFRMKNK1ROCK2ROCK1 | |
| SCHEMBL6532132 | 0.79 | CYP1A2 (0.67) | CCNT1CDK9ROCK2ROCK1RAF1 | |
| SCHEMBL4101905 | 0.78 | CCNT1 (0.60) | CCNT1CDK9 | |
| SCHEMBL6531053 | 0.77 | ROCK2 (0.46) | PIK3CAMKNK1ROCK2ROCK1MAPKAPK2 | |
| SCHEMBL1013494 | 0.75 | ABL1 (0.60) | PIK3CAMKNK1MAPKAPK2TNIK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005103036-A1 | PYRIMIDIN-4-YL-1H-INDAZOL-5YL-AMINES AS CHK1 KINASES INHIBITORS | BIOFOCUS DISCOVERY LTD (GB) | 2005-11-03 | — | — | WO | claimed |