Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 18/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 18/20 | 0.46 |
| ▸ | MTOR | P42345 | 17/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4016897 | 0.87 | PIK3CA (0.62) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4166455 | 0.87 | PIK3CA (0.59) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4018568 | 0.84 | PIK3CA (0.61) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4016901 | 0.81 | PIK3CA (0.46) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4022720 | 0.78 | PIK3CA (0.60) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4177421 | 0.77 | PIK3CA (0.76) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4017831 | 0.77 | PIK3CA (0.61) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4020168 | 0.77 | PIK3CA (0.69) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4182834 | 0.77 | PIK3CA (0.69) | PIK3CAPIK3CGMTOR | |
| SCHEMBL4026472 | 0.76 | PIK3CA (0.60) | PIK3CAPIK3CGMTOR |
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-2009097490-A1 | 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-08-06 | — | — | WO | claimed |