Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.43 |
| ▸ | CDK1 | P06493 | 4/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 3/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 6/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.39 |
| ▸ | KIT | P10721 | 2/20 | 0.39 |
| ▸ | LYN | P07948 | 3/20 | 0.39 |
| ▸ | BCR | P11274 | 2/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | ARAF | P10398 | 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 | 0.89 | CDK1 (0.52) | CDK2CDK1IKBKBCHUKIKBKG | |
| SCHEMBL22650851 | 0.85 | IKBKB (0.56) | CDK2CDK1CDK6IKBKBCHUK | |
| SCHEMBL22650800 | 0.83 | IKBKB (0.46) | CDK2CDK1CDK6CDK4IKBKB | |
| SCHEMBL22650597 | 0.81 | EGFR (0.37) | CDK2CDK4EGFR | |
| SCHEMBL22650848 | 0.80 | CDK1 (0.49) | CDK2CDK1IKBKBCHUKIKBKG | |
| SCHEMBL22650849 | 0.79 | CDK1 (0.47) | CDK2CDK1IKBKBCHUKIKBKG | |
| SCHEMBL22650925 | 0.79 | CDK2 (0.61) | CDK2CDK1IKBKBCHUKIKBKG | |
| SCHEMBL22650395 | 0.78 | CDK1 (0.61) | CDK2CDK1IKBKBCHUKIKBKG | |
| SCHEMBL22650796 | 0.76 | CDK2 (0.44) | CDK2CDK1CDK4IKBKBCHUK | |
| SCHEMBL22650921 | 0.76 | MTOR (0.49) | CDK2CDK1CDK6CDK4IKBKB |
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 |