Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 20/20 | 0.62 |
| ▸ | PIK3CA | P42336 | 10/20 | 0.57 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7879967 | 0.92 | MTOR (0.61) | MTORPIK3CA | |
| SCHEMBL7870159 | 0.89 | MTOR (0.73) | MTORPIK3CA | |
| SCHEMBL12773419 | 0.89 | MTOR (0.73) | MTORPIK3CACCNE1CDK2GSK3A | |
| SCHEMBL7878557 | 0.88 | MTOR (0.74) | MTORPIK3CA | |
| SCHEMBL12773686 | 0.86 | MTOR (0.75) | MTORPIK3CA | |
| SCHEMBL12773440 | 0.86 | MTOR (0.65) | MTORPIK3CACCNE1CDK2GSK3A | |
| SCHEMBL694230 | 0.85 | MTOR (0.82) | MTORPIK3CA | |
| SCHEMBL7876711 | 0.84 | MTOR (0.56) | MTORPIK3CACCNE1CDK2 | |
| SCHEMBL10158151 | 0.83 | PIK3CA (0.76) | MTORPIK3CA | |
| SCHEMBL12774566 | 0.82 | MTOR (0.73) | MTORPIK3CA |
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-2010122069-A1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |