Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.58 |
| ▸ | CDK2 | P24941 | 1/20 | 0.58 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 4/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.30 |
| ▸ | KIT | P10721 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25784855 | 0.88 | CCNE1 (0.63) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL25403950 | 0.81 | CCNE1 (0.41) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL25781286 | 0.79 | CDK2 (0.70) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL25781281 | 0.76 | CCNE1 (0.47) | CCNE1CDK2COMTTBK1EGFR | |
| SCHEMBL25786712 | 0.76 | CDK2 (0.65) | CCNE1CDK2TBK1EGFRAURKB | |
| SCHEMBL25781988 | 0.75 | CDK2 (0.80) | CCNE1CDK2 | |
| SCHEMBL25781998 | 0.75 | CCNE1 (0.79) | CCNE1CDK2 | |
| SCHEMBL25784837 | 0.75 | CDK2 (1.00) | CCNE1CDK2 | |
| SCHEMBL25781993 | 0.74 | CDK2 (0.78) | CCNE1CDK2ABL1 | |
| SCHEMBL25787378 | 0.71 | CCNE1 (0.46) | CCNE1CDK2COMTTBK1ABL1 |
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-2023168686-A1 | SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2023-09-14 | — | — | WO | disclosed |