Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 15/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 12/20 | 0.41 |
| ▸ | CDK1 | P06493 | 6/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 10/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 8/20 | 0.41 |
| ▸ | CDK4 | P11802 | 7/20 | 0.41 |
| ▸ | CCND3 | P30281 | 5/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | IDH2 | P48735 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24676002 | 0.92 | CDK2 (0.49) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL29754964 | 0.92 | CDK2 (0.49) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676947 | 0.88 | CDK2 (0.49) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676010 | 0.88 | CCR6 (0.40) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL29754970 | 0.88 | CCR6 (0.40) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676481 | 0.87 | CCND1 (0.40) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676824 | 0.87 | TDO2 (0.43) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676472 | 0.86 | TDO2 (0.42) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL24676701 | 0.84 | GPR119 (0.42) | TDO2CDK2CCNE1CDK1CCNB1 | |
| SCHEMBL29754809 | 0.84 | GPR119 (0.42) | TDO2CDK2CCNE1CDK1CCNB1 |
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 |