Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.59 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.59 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.59 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.59 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.59 |
| ▸ | CDK2 | P24941 | 13/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 5/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.49 |
| ▸ | CDK9 | P50750 | 4/20 | 0.49 |
| ▸ | CDK4 | P11802 | 8/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | TYK2 | P29597 | 2/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650852 | 0.93 | CDK2 (0.59) | CDK1CCNB1CCNB2CDK5CDK5R1 | |
| SCHEMBL22650401 | 0.79 | NTRK1 (0.46) | CDK2CDK4CDK6CCNA2PTGS2 | |
| SCHEMBL22650944 | 0.77 | CDK2 (0.61) | CDK1CCNB1CCNB2CDK5CDK5R1 | |
| SCHEMBL22650918 | 0.77 | DKK1 (0.57) | CDK1CCNB1CDK2CCNT1CDK9 | |
| SCHEMBL22650396 | 0.76 | CDK6 (0.47) | CDK5CDK5R1CDK2CCNE1CDK9 | |
| SCHEMBL22650740 | 0.75 | RPS6KA5 (0.32) | GSK3BJAK2 | |
| SCHEMBL22650718 | 0.74 | CDK6 (0.44) | CDK1CCNB1CDK5CDK5R1CDK2 | |
| SCHEMBL31590790 | 0.74 | CDK6 (0.42) | CDK1CCNB1CDK5CDK5R1CDK2 | |
| SCHEMBL22650406 | 0.74 | CDK6 (0.44) | CDK5CDK5R1CDK2CCNE1CDK9 | |
| SCHEMBL22650593 | 0.74 | CDK6 (0.46) | CDK1CCNB1CDK5CDK5R1CDK2 |
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 |