Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 11/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 11/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 10/20 | 0.38 |
| ▸ | MTOR | P42345 | 6/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715976 | 1.00 | CDK6 (0.39) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL20749376 | 0.89 | CDK6 (0.37) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| Uplarafenib SCHEMBL14716189 | 0.84 | BRAF (0.51) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| Uplarafenib SCHEMBL29623930 | 0.84 | BRAF (0.51) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716175 | 0.83 | BRAF (0.33) | BRAFFGFR2NPC1 | |
| SCHEMBL29624095 | 0.82 | HPGD (0.42) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716099 | 0.81 | BRAF (0.38) | HPGDBRAFNPC1 | |
| SCHEMBL14829458 | 0.81 | HPGD (0.46) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716024 | 0.80 | BRAF (0.48) | CDK6HPGDPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14716305 | 0.80 | BRAF (0.46) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116887833-A | Certain chemical entities, compositions and methods | 润新生物公司 | 2023-10-13 | — | — | CN | disclosed |
| EP-4255434-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2023-10-11 | — | — | EP | disclosed |
| WO-2022119905-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC (US) | 2022-06-09 | — | — | WO | disclosed |