Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.51 |
| ▸ | CCND1 | P24385 | 4/20 | 0.51 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.51 |
| ▸ | CDK2 | P24941 | 4/20 | 0.38 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RPS6KA6 | Q9UK32 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 4/20 | 0.33 |
| ▸ | JAK1 | P23458 | 4/20 | 0.33 |
| ▸ | TYK2 | P29597 | 4/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 2/20 | 0.33 |
| ▸ | CCND2 | P30279 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650754 | 0.90 | CDK4 (0.51) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650753 | 0.90 | CDK4 (0.51) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650551 | 0.85 | CDK6 (0.52) | CDK4CCND1CDK6CDK2NPC1 | |
| SCHEMBL22650552 | 0.85 | CDK4 (0.53) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650556 | 0.81 | CDK4 (0.52) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650757 | 0.76 | CDK4 (0.35) | CDK4CCND1CDK6CDK2CCNT1 | |
| SCHEMBL22650544 | 0.75 | CDK4 (0.56) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650545 | 0.74 | CDK4 (0.55) | CDK4CCND1CDK6CDK2BMPR2 | |
| SCHEMBL22650762 | 0.73 | CDK6 (0.67) | CDK4CCND1CDK6CDK2CCNT1 | |
| SCHEMBL22650447 | 0.73 | CDK4 (0.60) | CDK4CCND1CDK6CDK2CCNT1 |
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 |