Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | RPTOR | Q8N122 | 2/20 | 0.41 |
| ▸ | MLST8 | Q9BVC4 | 2/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL411910 | 0.88 | MTOR (0.58) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL442183 | 0.88 | MTOR (0.58) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL1721199 | 0.88 | MTOR (0.58) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| Hydrochloric Acid SCHEMBL443870 | 0.87 | MTOR (0.57) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| Hydrochloric Acid SCHEMBL443871 | 0.87 | MTOR (0.57) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL1831772 | 0.81 | MTOR (0.60) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL1834821 | 0.81 | MTOR (0.58) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| Hydrochloric Acid SCHEMBL3235341 | 0.80 | MTOR (0.57) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL1834135 | 0.77 | MTOR (0.61) | MTORKCNH2PIK3CACYP3A4RPTOR | |
| SCHEMBL442034 | 0.77 | MTOR (0.61) | MTORKCNH2PIK3CACYP3A4RPTOR |
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 |