Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 6/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | MAPKAPK3 | Q16644 | 2/20 | 0.38 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15304355 | 1.00 | ITK (0.46) | ITKCHEK1CDK1CDK4CCNA2 | |
| SCHEMBL5953047 | 0.86 | MAP2K4 (0.49) | ITKCHEK1MAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL3538242 | 0.80 | TTK (0.54) | CHEK1CDK1CDK4CCNA2CCND1 | |
| SCHEMBL13632256 | 0.79 | GRIA1 (0.36) | CHEK1CDK1CDK4CCNA2CCND1 | |
| SCHEMBL27384927 | 0.79 | PARP1 (0.42) | CHEK1PARP1PIM1RPS6KA3 | |
| SCHEMBL29497531 | 0.79 | PDPK1 (0.58) | CHEK1CDK2PIM3KDRPIM1 | |
| SCHEMBL29956078 | 0.79 | AXL (0.45) | CHEK1KDRPARP1 | |
| SCHEMBL3537177 | 0.79 | MAP2K4 (0.51) | ITKCHEK1CDK1CDK4CCNA2 | |
| SCHEMBL29935743 | 0.79 | MAP2K4 (0.51) | ITKCHEK1CDK1CDK4CCNA2 | |
| SCHEMBL29955404 | 0.79 | PDPK1 (0.54) | CHEK1CDK4CCND1CDK2CCND3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |