Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.53 |
| ▸ | CDK2 | P24941 | 7/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.46 |
| ▸ | CCND1 | P24385 | 11/20 | 0.46 |
| ▸ | CDK4 | P11802 | 10/20 | 0.46 |
| ▸ | CDK6 | Q00534 | 9/20 | 0.46 |
| ▸ | CCND3 | P30281 | 6/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.44 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 2/20 | 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 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30874701 | 0.75 | IKBKB (0.68) | IKBKBCDK2CCNE1CCND1CDK4 | |
| SCHEMBL29212007 | 0.75 | IKBKB (0.68) | IKBKBCDK2CCNE1CCND1CDK4 | |
| SCHEMBL22650537 | 0.74 | CDK2 (0.50) | IKBKBCDK2CCNE1CDK4CCNT1 | |
| SCHEMBL22650600 | 0.71 | MAPK14 (0.40) | CDK2CDK1CDK5CDK5R1CCNA2 | |
| SCHEMBL4504958 | 0.71 | KCNH2 (0.65) | IKBKBCDK2CCNE1CCND1CDK4 | |
| SCHEMBL30838834 | 0.71 | IKBKB (0.59) | IKBKBCDK2CCNE1CCND1CDK4 | |
| SCHEMBL29236001 | 0.71 | IKBKB (0.59) | IKBKBCDK2CCNE1CCND1CDK4 | |
| SCHEMBL22650630 | 0.71 | CDK9 (0.35) | CDK2CDK9CDK1CCNB1MAPK10 | |
| SCHEMBL22650578 | 0.71 | IKBKB (0.35) | IKBKBCDK2CDK9CDK1CCNB1 | |
| SCHEMBL22650620 | 0.71 | CDK2 (0.36) | CDK2CDK9CDK1CCNB1CCNA2 |
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 |