Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
| ▸ | CDK4 | P11802 | 13/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 8/20 | 0.36 |
| ▸ | CDK1 | P06493 | 6/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CCND1 | P24385 | 3/20 | 0.34 |
| ▸ | CCND3 | P30281 | 3/20 | 0.34 |
| ▸ | CDK2 | P24941 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650586 | 0.83 | EGFR (0.39) | AAK1CDK4CDK6CDK1EGFR | |
| SCHEMBL18202725 | 0.78 | CDK4 (0.53) | AAK1CDK4CDK6CDK1EGFR | |
| SCHEMBL22650743 | 0.77 | DAPK1 (0.33) | CDK4CDK1EGFRCCNB1CCND1 | |
| SCHEMBL29491180 | 0.77 | DAPK1 (0.33) | CDK4CDK1EGFRCCNB1CCND1 | |
| SCHEMBL22650829 | 0.76 | CDK4 (0.34) | CDK4CDK6CDK1EGFRCCNB1 | |
| SCHEMBL22650828 | 0.76 | CDK4 (0.33) | CDK4CDK6CDK1EGFRCCNB1 | |
| SCHEMBL22650827 | 0.74 | CDK4 (0.39) | AAK1CDK4CDK6CDK1EGFR | |
| SCHEMBL22650358 | 0.72 | EGFR (0.33) | CDK4CDK6CDK1EGFRCCNB1 | |
| SCHEMBL18202733 | 0.67 | CDK4 (0.52) | CDK4CDK6CDK1CCNB1CCNE1 | |
| SCHEMBL22650744 | 0.66 | DAPK1 (0.32) | CDK4CDK1CCNB1CCND1 |
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 |