Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 19/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12773632 | 0.88 | MTOR (0.71) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL7880673 | 0.88 | MTOR (0.52) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL7876711 | 0.87 | MTOR (0.56) | MTORCCNE1CDK2PIK3CAGABRP | |
| SCHEMBL7883128 | 0.86 | MTOR (0.52) | MTORCCNE1CDK2 | |
| SCHEMBL12773417 | 0.84 | MTOR (0.73) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL12137738 | 0.83 | MTOR (0.46) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL12773419 | 0.82 | MTOR (0.73) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL695553 | 0.82 | MTOR (0.81) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL12774587 | 0.82 | MTOR (0.74) | MTORCCNE1CDK2GSK3APIK3CA | |
| SCHEMBL10158112 | 0.81 | MTOR (0.56) | MTORCCNE1CDK2PIK3CA |
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 |