Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25003063 | 0.82 | CDK5 (0.44) | CDK5PIM1CSNK1A1ROCK1DYRK1A | |
| SCHEMBL29237769 | 0.79 | NSD2 (0.36) | CDK5CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29237856 | 0.76 | PIM1 (0.39) | CDK5PIM1CSNK1A1ROCK1DYRK1A | |
| SCHEMBL29237858 | 0.76 | PIM1 (0.39) | CDK5PIM1CSNK1A1ROCK1DYRK1A | |
| SCHEMBL22989994 | 0.75 | CDK5 (0.44) | CDK5PIM1CSNK1A1ROCK1DYRK1A | |
| SCHEMBL29237837 | 0.72 | CA1 (0.39) | CA1CA2CA7CA9 | |
| SCHEMBL29237766 | 0.71 | KDM4E (0.38) | CA1CA2CA7CA9 | |
| SCHEMBL29237787 | 0.71 | NPSR1 (0.47) | CA1CA2CA7CA9 | |
| SCHEMBL14938952 | 0.70 | CDK5 (0.40) | CDK5PIM1CSNK1A1ROCK1DYRK1A | |
| SCHEMBL28502513 | 0.70 | PARP10 (0.45) | CDK5PIM1CSNK1A1ROCK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-118239862-A | Chiral monofluorone carbonyl substituted nitrile compound and preparation method and application thereof | 上海应用技术大学 | 2024-06-25 | — | — | CN | disclosed |