Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 3/20 | 0.33 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | WEE1 | P30291 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.32 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650606 | 0.89 | WNT3A (0.39) | CDK4CCNA2CCND1CDK2F10 | |
| SCHEMBL20038327 | 0.79 | DRD3 (0.47) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL22650505 | 0.78 | F10 (0.38) | CDK4CCND1F10CDK6CCND3 | |
| SCHEMBL20038358 | 0.76 | ALDH1A1 (0.36) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL20203463 | 0.76 | ALDH1A1 (0.38) | CDK4CDK1CCNA2CCNB1CCND1 | |
| SCHEMBL20249472 | 0.76 | GAA (0.38) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL21414404 | 0.75 | HRH3 (0.37) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL24483448 | 0.72 | WNT3A (0.50) | CDK4CDK1CCNA2CCNB1CCND1 | |
| SCHEMBL22650900 | 0.72 | USP30 (0.34) | CDK4CDK1CCND1CDK2 | |
| SCHEMBL22650899 | 0.72 | USP30 (0.34) | CDK4CDK1CCND1CDK2 |
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 |