Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 8/20 | 0.38 |
| ▸ | CDK2 | P24941 | 8/20 | 0.38 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13734929 | 1.00 | CDK1 (0.38) | CDK1CDK2KDRCDK4CCND1 | |
| SCHEMBL23196010 | 0.81 | CDK4 (0.36) | KDRCDK4CCND1CCND2CCND3 | |
| SCHEMBL23195815 | 0.79 | SMN1; SMN2 (0.41) | CDK2CDK4CCND1CCND2CCND3 | |
| SCHEMBL23195809 | 0.76 | IGF1R (0.40) | CDK1CDK2KDRCDK4CCND1 | |
| SCHEMBL13733999 | 0.76 | KDM4E (0.37) | CDK1KDRCDK4CCND1CCND2 | |
| SCHEMBL23196386 | 0.74 | MAPK8 (0.39) | CDK4CCND1CCND2CCND3SMN1; SMN2 | |
| SCHEMBL13734259 | 0.73 | MAPK8 (0.48) | — | |
| SCHEMBL13734497 | 0.72 | HDAC3 (0.38) | CDK1CDK2KDRLRRK2 | |
| SCHEMBL4584347 | 0.70 | IGF1R (0.48) | CDK1CDK2KDR | |
| SCHEMBL3450501 | 0.70 | HDAC3 (0.44) | CDK1CDK2KDRCDK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111471021-B | Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2024-04-02 | — | — | CN | disclosed |