Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 14/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718813 | 0.93 | MTOR (0.52) | MTORPIK3CACYP3A4PIK3CGKCNH2 | |
| SCHEMBL3723931 | 0.92 | MTOR (0.55) | MTORPIK3CACYP3A4PIK3CG | |
| SCHEMBL3721727 | 0.91 | MTOR (0.51) | MTORPIK3CACYP3A4PIK3CGKCNH2 | |
| SCHEMBL3722037 | 0.90 | MTOR (0.52) | MTORPIK3CAPIK3CG | |
| SCHEMBL3722978 | 0.90 | MTOR (0.50) | MTORPIK3CACYP3A4PIK3CGKCNH2 | |
| SCHEMBL3727683 | 0.89 | MTOR (0.52) | MTORPIK3CACYP3A4KCNH2 | |
| SCHEMBL3728077 | 0.88 | MTOR (0.59) | MTORPIK3CACYP3A4PIK3CGKCNH2 | |
| SCHEMBL3725562 | 0.88 | MTOR (0.64) | MTORPIK3CACYP3A4PIK3CG | |
| SCHEMBL3720902 | 0.88 | PIK3CA (0.65) | MTORPIK3CAPIK3CG | |
| SCHEMBL3727148 | 0.87 | MTOR (0.56) | MTORPIK3CACYP3A4KCNH2 |
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-2010120996-A1 | 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2010-10-21 | — | — | WO | disclosed |