Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 5/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.35 |
| ▸ | CCND1 | P24385 | 4/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 4/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCND3 | P30281 | 3/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.33 |
| ▸ | CDK9 | P50750 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | CDK7 | P50613 | 2/20 | 0.33 |
| ▸ | CCNH | P51946 | 2/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650473 | 0.90 | MAP3K14 (0.41) | MAP3K14LRRK2CCNA2CDK2CCNE1 | |
| SCHEMBL22650429 | 0.75 | CCND1 (0.40) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650946 | 0.75 | CDK6 (0.44) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650856 | 0.74 | CDK6 (0.47) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650860 | 0.73 | CDK6 (0.44) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650511 | 0.72 | CCND1 (0.35) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650859 | 0.72 | CDK4 (0.51) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650734 | 0.72 | CDK6 (0.48) | CDK6CCND1CDK4CDK1CCND3 | |
| SCHEMBL22650407 | 0.67 | L3MBTL1 (0.37) | CDK1CCNA2CDK2 | |
| SCHEMBL22650503 | 0.67 | MAPK14 (0.46) | MAP3K14CDK1CCNT1CDK9CCNB1 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |