Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 3/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 3/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25881961 | 1.00 | MAP3K5 (0.54) | MAP3K5ROCK1BRAFCSNK2A2CSNK2B | |
| SCHEMBL25881960 | 0.86 | MAP3K5 (0.54) | MAP3K5ROCK1BRAF | |
| SCHEMBL30512112 | 0.86 | MAP3K5 (0.54) | MAP3K5ROCK1BRAFCDK2AURKA | |
| SCHEMBL25879550 | 0.86 | MAP3K5 (0.54) | MAP3K5ROCK1BRAFCDK2AURKA | |
| SCHEMBL30512103 | 0.83 | MAP3K5 (0.50) | MAP3K5ROCK1BRAFCDK2AURKA | |
| SCHEMBL25881661 | 0.81 | MAP3K5 (0.48) | MAP3K5ROCK1BRAFCDK2FDPS | |
| SCHEMBL25879895 | 0.80 | BRAF (0.51) | MAP3K5BRAFCDK2AURKAMAPK1 | |
| SCHEMBL25879889 | 0.80 | HRH4 (0.50) | MAP3K5CDK2 | |
| SCHEMBL30512108 | 0.80 | BRAF (0.51) | MAP3K5BRAFCDK2AURKAMAPK1 | |
| SCHEMBL25880449 | 0.78 | HRH4 (0.53) | MAP3K5CDK2 |
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-2023138412-A1 | FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS | INSILICO MEDICINE IP LIMITED (CN) | 2023-07-27 | — | — | WO | disclosed |