Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 9/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 9/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 7/20 | 0.43 |
| ▸ | CXCR3 | P49682 | 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 | |
|---|---|---|---|---|
| SCHEMBL3907501 | 1.00 | ATR (0.47) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3461629 | 0.84 | ATR (0.54) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3461741 | 0.76 | PIK3CD (0.55) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3461007 | 0.74 | DRD2 (0.65) | ATR | |
| SCHEMBL3462081 | 0.74 | DRD2 (0.65) | ATR | |
| SCHEMBL4251697 | 0.74 | DRD2 (0.65) | ATR | |
| SCHEMBL3907499 | 0.74 | PIK3CD (0.43) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3460033 | 0.73 | ATR (0.53) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3460812 | 0.73 | ATR (0.57) | ATRPIK3CDPIK3CAPIK3CGPIK3CB | |
| SCHEMBL3462402 | 0.73 | ATR (0.67) | ATR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | WO | disclosed |