Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.43 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1727589 | 1.00 | MTOR (0.49) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL442051 | 0.89 | MTOR (0.56) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL411892 | 0.89 | MTOR (0.56) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL412933 | 0.74 | MTOR (0.62) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL442113 | 0.74 | MTOR (0.62) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL13257089 | 0.73 | PIK3CA (0.72) | MTORPIK3CA | |
| SCHEMBL413813 | 0.72 | MTOR (0.64) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL443639 | 0.72 | MTOR (0.64) | MTORPIK3CACYP3A4RPTORMLST8 | |
| SCHEMBL3591943 | 0.72 | PIK3CA (0.72) | MTORPIK3CA | |
| SCHEMBL411879 | 0.72 | MTOR (0.79) | MTORPIK3CACYP3A4RPTORMLST8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2406258-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | Cellzome Limited (GB) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010103094-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | CELLZOME LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |