Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 7/20 | 0.53 |
| ▸ | MTOR | P42345 | 13/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | RPTOR | Q8N122 | 5/20 | 0.45 |
| ▸ | MLST8 | Q9BVC4 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1831760 | 0.92 | ATR (0.47) | ATRMTORKCNH2PIK3CARPTOR | |
| SCHEMBL441654 | 0.91 | MTOR (0.47) | ATRMTORKCNH2PIK3CARPTOR | |
| SCHEMBL2097798 | 0.88 | ATR (0.52) | ATRMTORKCNH2PIK3CARPTOR | |
| SCHEMBL1829520 | 0.88 | ATR (0.52) | ATRMTORKCNH2PIK3CARPTOR | |
| SCHEMBL24955630 | 0.86 | MTOR (0.55) | ATRMTORPIK3CA | |
| SCHEMBL442685 | 0.86 | MTOR (0.55) | ATRMTORPIK3CA | |
| SCHEMBL31107005 | 0.86 | MTOR (0.55) | ATRMTORPIK3CA | |
| SCHEMBL412512 | 0.86 | MTOR (0.55) | ATRMTORPIK3CA | |
| SCHEMBL443375 | 0.84 | MTOR (0.51) | ATRMTORKCNH2PIK3CACYP3A4 | |
| SCHEMBL414101 | 0.84 | MTOR (0.51) | ATRMTORKCNH2PIK3CACYP3A4 |
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-2010103094-A1 | PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | CELLZOME LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |