Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.47 |
| ▸ | RPTOR | Q8N122 | 3/20 | 0.45 |
| ▸ | MLST8 | Q9BVC4 | 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 | |
|---|---|---|---|---|
| SCHEMBL414002 | 0.90 | MTOR (0.60) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL440538 | 0.90 | MTOR (0.60) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL414130 | 0.87 | MTOR (0.47) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL442792 | 0.87 | MTOR (0.47) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL7903507 | 0.86 | MTOR (0.54) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL442593 | 0.83 | MTOR (0.59) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL412693 | 0.83 | MTOR (0.59) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| Hydrochloric Acid SCHEMBL443714 | 0.82 | MTOR (0.58) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| Hydrochloric Acid SCHEMBL443713 | 0.82 | MTOR (0.58) | MTORKCNH2CYP3A4PIK3CARPTOR | |
| SCHEMBL442536 | 0.80 | MTOR (0.49) | MTORKCNH2CYP3A4PIK3CARPTOR |
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 |