Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20749370 | 0.86 | HCAR2 (0.41) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL20749378 | 0.86 | CDK6 (0.41) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716129 | 0.85 | PIK3CB (0.44) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL20749385 | 0.85 | ALDH1A1 (0.41) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL29590072 | 0.83 | CDK6 (0.42) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716359 | 0.83 | CDK6 (0.42) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14829458 | 0.82 | HPGD (0.46) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716084 | 0.82 | HDAC3 (0.45) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716097 | 0.81 | PIK3CD (0.53) | CDK6PIK3CDPIK3CAPIK3CBPIK3CG | |
| Uplarafenib SCHEMBL29623930 | 0.81 | BRAF (0.51) | 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 |