Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.48 |
| ▸ | BCR | P11274 | 2/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 3/20 | 0.45 |
| ▸ | SRC | P12931 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3605169 | 0.91 | CDK2 (0.51) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL3603519 | 0.90 | SYK (0.49) | ABL1BCRSIRT5CCNB2CDK1 | |
| SCHEMBL3607290 | 0.89 | ABL1 (0.43) | ABL1BCRSIRT5CDK1SYK | |
| SCHEMBL3603517 | 0.88 | ABL1 (0.41) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL3609681 | 0.88 | CDK2 (0.51) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL13502999 | 0.84 | TBK1 (0.51) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL3604092 | 0.84 | CDK1 (0.54) | SIRT5CCNB2CDK1RETCCNB1 | |
| SCHEMBL3606836 | 0.82 | SYK (0.47) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL3602605 | 0.81 | CDK2 (0.50) | ABL1PIK3CAPIK3CGBCRPIK3CB | |
| SCHEMBL3608990 | 0.81 | MAPT (0.52) | ABL1PIK3CAPIK3CGBCRPIK3CB |
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-2008079933-A2 | HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |