Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8106629 | 0.85 | PIK3CD (0.34) | CYP1A2GPR119PIK3CDPIK3CAMTOR | |
| SCHEMBL8100159 | 0.85 | PIK3CA (0.36) | CYP1A2GPR119PIK3CDPIK3CAMTOR | |
| SCHEMBL8098280 | 0.83 | RAB9A (0.39) | CYP1A2GPR119PIK3CDPIK3CAMTOR | |
| SCHEMBL8091770 | 0.82 | MTOR (0.37) | CYP1A2GPR119PIK3CDPIK3CAMTOR | |
| SCHEMBL8091937 | 0.80 | CA12 (0.39) | PIK3CDPIK3CAMTORCA12CA1 | |
| SCHEMBL3924188 | 0.79 | PIK3CA (0.56) | PIK3CDPIK3CAMTORPIK3CBPIK3CG | |
| SCHEMBL3935410 | 0.79 | PIK3CA (0.56) | PIK3CDPIK3CAMTORPIK3CBPIK3CG | |
| SCHEMBL8098837 | 0.79 | PIK3CA (0.40) | PIK3CDPIK3CAMTORPIK3CBPIK3CG | |
| SCHEMBL8100894 | 0.78 | PIK3CD (0.37) | CYP1A2GPR119PIK3CDPIK3CAMTOR | |
| SCHEMBL8091352 | 0.77 | PIK3CA (0.41) | PIK3CDPIK3CAMTORPIK3CBPIK3CG |
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-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |