Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.63 |
| ▸ | CDK2 | P24941 | 1/20 | 0.63 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL25404996 | 0.88 | CCNE1 (0.58) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL25781286 | 0.81 | CDK2 (0.70) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL25784837 | 0.78 | CDK2 (1.00) | CCNE1CDK2 | |
| SCHEMBL25781281 | 0.78 | CCNE1 (0.47) | CCNE1CDK2COMTTBK1EGFR | |
| SCHEMBL26320681 | 0.77 | FAAH (0.43) | CCNE1CDK2BRD4 | |
| SCHEMBL25781988 | 0.77 | CDK2 (0.80) | CCNE1CDK2 | |
| SCHEMBL25787378 | 0.75 | CCNE1 (0.46) | CCNE1CDK2COMTTBK1ABL1 | |
| SCHEMBL26320679 | 0.75 | BRD4 (0.49) | PSMB5BRD4 | |
| SCHEMBL25781276 | 0.72 | RIPK1 (0.50) | COMT | |
| SCHEMBL25785187 | 0.72 | PDGFRB (0.47) | CCNE1CDK2PSMB5PDGFRBPDGFRA |
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 2 patents. 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 |
| WO-2023116884-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-06-29 | — | — | WO | disclosed |