Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.78 |
| ▸ | CDK2 | P24941 | 13/20 | 0.78 |
| ▸ | CDK7 | P50613 | 11/20 | 0.78 |
| ▸ | CCNE1 | P24864 | 11/20 | 0.78 |
| ▸ | CDK5 | Q00535 | 10/20 | 0.78 |
| ▸ | CDK4 | P11802 | 8/20 | 0.78 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.78 |
| ▸ | CCND1 | P24385 | 8/20 | 0.78 |
| ▸ | CCNH | P51946 | 8/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.78 |
| ▸ | CDK9 | P50750 | 4/20 | 0.78 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.78 |
| ▸ | CLK2 | P49760 | 2/20 | 0.78 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.78 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.78 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.78 |
| ▸ | CSNK1G1 | Q9HCP0 | 2/20 | 0.78 |
| ▸ | CCNK | O75909 | 2/20 | 0.78 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.78 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.78 |
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 | |
|---|---|---|---|---|
| SCHEMBL13498207 | 0.91 | CDK1 (0.79) | CDK1CDK2CDK7CCNE1CDK5 | |
| SCHEMBL14403894 | 0.91 | CDK1 (0.88) | CDK1CDK2CDK7CCNE1CDK5 | |
| SCHEMBL13497862 | 0.91 | CDK1 (0.78) | CDK1CDK2CDK7CCNE1CDK5 | |
| (Rs)-Roscovitine SCHEMBL172593 | 0.87 | CDK1 (1.00) | CDK1CDK2CDK7CCNE1CDK5 | |
| (Rs)-Roscovitine SCHEMBL15163619 | 0.87 | CDK1 (1.00) | CDK1CDK2CDK7CCNE1CDK5 | |
| (S)-Roscovitine SCHEMBL2907488 | 0.87 | CDK1 (1.00) | CDK1CDK2CDK7CCNE1CDK5 | |
| (S)-Roscovitine SCHEMBL29415376 | 0.87 | CDK1 (1.00) | CDK1CDK2CDK7CCNE1CDK5 | |
| Seliciclib SCHEMBL94728 | 0.87 | CDK1 (1.00) | CDK1CDK2CDK7CCNE1CDK5 | |
| SCHEMBL19705770 | 0.87 | CDK1 (0.70) | CDK1CDK2CDK7CCNE1CDK5 | |
| SCHEMBL19705771 | 0.87 | CDK1 (0.80) | CDK1CDK2CDK7CCNE1CDK5 |
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-2014204856-A1 | FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES | CATABASIS PHARMACEUTICALS, INC. (US) | 2014-12-24 | — | — | WO | disclosed |