Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 5/20 | 0.44 |
| ▸ | KDR | P35968 | 5/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | STK4 | Q13043 | 1/20 | 0.42 |
| ▸ | STK3 | Q13188 | 1/20 | 0.42 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.42 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.42 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17047483 | 0.85 | PIK3CG (0.50) | MAP3K5PIK3CAPIK3CGPIK3CDKDR | |
| SCHEMBL17047502 | 0.85 | PIK3CA (0.47) | ROCK1PIK3CAPIK3CGPIK3CDABCB1 | |
| SCHEMBL17047522 | 0.84 | PIK3CG (0.59) | PIK3CAPIK3CGPIK3CDCDK1KDR | |
| SCHEMBL20711031 | 0.82 | CDK1 (0.44) | PIK3CAPIK3CGPIK3CDCDK1KDR | |
| SCHEMBL17047530 | 0.80 | CDK1 (0.39) | ROCK1MAP3K5PIK3CAPIK3CGPIK3CD | |
| SCHEMBL17047475 | 0.79 | IKBKB (0.44) | PIK3CAPIK3CGPIK3CDCDK1KDR | |
| SCHEMBL17047464 | 0.79 | PIK3CA (0.69) | ROCK1PIK3CAPIK3CGPIK3CDCYP1A2 | |
| SCHEMBL17047461 | 0.79 | PIK3CA (0.43) | PIK3CAPIK3CGPIK3CDABCB1ABCG2 | |
| SCHEMBL31381352 | 0.78 | MAP3K5 (0.60) | ROCK1MAP3K5CDK1KDRCDK2 | |
| SCHEMBL167891 | 0.78 | MAP3K5 (0.60) | ROCK1MAP3K5CDK1KDRCDK2 |
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-1345925-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002050065-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-06-27 | — | — | WO | disclosed |