Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 11/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 11/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 10/20 | 0.34 |
| ▸ | MTOR | P42345 | 6/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 3/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20749419 | 0.84 | — | — | |
| SCHEMBL20749376 | 0.83 | CDK6 (0.37) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14715976 | 0.79 | CDK6 (0.39) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29623943 | 0.79 | CDK6 (0.39) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL24021485 | 0.79 | BRAF (0.33) | — | |
| SCHEMBL20749378 | 0.78 | CDK6 (0.41) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL24021465 | 0.78 | DOT1L (0.40) | NPC1 | |
| SCHEMBL29624095 | 0.78 | HPGD (0.42) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14829458 | 0.76 | HPGD (0.46) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL20749392 | 0.76 | CDK6 (0.42) | CDK6HPGDPIK3CDPIK3CAPIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2747767-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2019-02-20 | — | — | EP | disclosed |