Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.36 |
| ▸ | CCND1 | P24385 | 6/20 | 0.36 |
| ▸ | CCND3 | P30281 | 5/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 6/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | IDH2 | P48735 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 5/20 | 0.32 |
| ▸ | CDK1 | P06493 | 4/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.31 |
| ▸ | CDK9 | P50750 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29754914 | 1.00 | CDK4 (0.36) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL24676828 | 0.92 | MAPK1 (0.36) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL24676593 | 0.89 | DYRK2 (0.43) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL24676477 | 0.88 | MAPK1 (0.36) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL29754987 | 0.88 | MAPK1 (0.36) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL24676467 | 0.88 | CCNE1 (0.36) | CDK4CCND1CCND3CDK6MAPK1 | |
| SCHEMBL24675994 | 0.83 | CDK2 (0.41) | CDK4CCND1CCND3CDK6CDK2 | |
| SCHEMBL29755036 | 0.83 | CDK2 (0.41) | CDK4CCND1CCND3CDK6CDK2 | |
| SCHEMBL24677030 | 0.83 | CDK2 (0.41) | CDK4CCND1CCND3CDK6CDK2 | |
| SCHEMBL29754857 | 0.83 | CDK2 (0.41) | CDK4CCND1CCND3CDK6CDK2 |
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-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |