Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 17/20 | 0.58 |
| ▸ | PIK3R1 | P27986 | 12/20 | 0.58 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2378621 | 0.95 | PIK3CA (0.65) | PIK3CAPIK3R1PIK3CBCYP3A4CYP2C19 | |
| SCHEMBL2378924 | 0.94 | PIK3CA (0.51) | PIK3CAPIK3R1PIK3CBCYP3A4CYP2C19 | |
| SCHEMBL2377416 | 0.89 | PIK3CA (0.57) | PIK3CAPIK3R1PIK3CBCYP3A4CYP2C19 | |
| SCHEMBL2378095 | 0.89 | PIK3CA (0.61) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2375640 | 0.88 | PIK3CA (0.58) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2376987 | 0.87 | PIK3CA (0.69) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2377842 | 0.86 | PIK3CA (0.56) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2377814 | 0.86 | PIK3CA (0.75) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2378334 | 0.85 | PIK3CA (0.55) | PIK3CAPIK3R1PIK3CB | |
| SCHEMBL2375643 | 0.85 | PIK3CA (0.69) | PIK3CAPIK3R1PIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| US-8022205-B2 | Pyrimidine derivatives as PI3K inhibitor and use thereof | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-09-20 | — | — | US | disclosed |