Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.46 |
| ▸ | CHUK | O15111 | 2/20 | 0.46 |
| ▸ | IKBKG | Q9Y6K9 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 7/20 | 0.46 |
| ▸ | CDK2 | P24941 | 6/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 2/20 | 0.41 |
| ▸ | MYLK4 | Q86YV6 | 2/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.40 |
| ▸ | NEK3 | P51956 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | NEK5 | Q6P3R8 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 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 | |
|---|---|---|---|---|
| SCHEMBL22650853 | 0.94 | CDK1 (0.52) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650851 | 0.92 | IKBKB (0.56) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650796 | 0.91 | CDK2 (0.44) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650927 | 0.90 | CDK2 (0.52) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650921 | 0.88 | MTOR (0.49) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650849 | 0.87 | CDK1 (0.47) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650848 | 0.87 | CDK1 (0.49) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650925 | 0.85 | CDK2 (0.61) | IKBKBCHUKIKBKGCDK1CDK2 | |
| SCHEMBL22650919 | 0.85 | CDK2 (0.54) | CDK1CDK2MYLK4STK17ANEK3 | |
| SCHEMBL22650395 | 0.85 | CDK1 (0.61) | IKBKBCHUKIKBKGCDK1CDK2 |
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 |