Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 13/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 9/20 | 0.38 |
| ▸ | CCND1 | P24385 | 7/20 | 0.38 |
| ▸ | CDK2 | P24941 | 6/20 | 0.38 |
| ▸ | CCND3 | P30281 | 3/20 | 0.38 |
| ▸ | CDK9 | P50750 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 3/20 | 0.38 |
| ▸ | CCNK | O75909 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.38 |
| ▸ | CDK7 | P50613 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | CIT | O14578 | 1/20 | 0.38 |
| ▸ | GAK | O14976 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | STK16 | O75716 | 1/20 | 0.38 |
| ▸ | STK10 | O94804 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650947 | 0.94 | CDK4 (0.39) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650632 | 0.92 | CDK6 (0.46) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650948 | 0.89 | CDK4 (0.46) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650867 | 0.88 | CDK6 (0.45) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650866 | 0.86 | CDK4 (0.46) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650869 | 0.84 | CDK6 (0.42) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650732 | 0.82 | CDK6 (0.46) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650612 | 0.82 | EGFR (0.49) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650735 | 0.81 | CDK4 (0.48) | PTGS2NTRK1CDK4CDK6CCND1 | |
| SCHEMBL22650613 | 0.81 | CDK4 (0.48) | PTGS2NTRK1CDK4CDK6CCND1 |
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 |