Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 3/20 | 0.35 |
| ▸ | CLK2 | P49760 | 3/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179990 | 1.00 | ADORA2A (0.38) | ADORA2AADORA1ADORA3ADORA2BCLK1 | |
| SCHEMBL22179952 | 0.87 | NAMPT (0.41) | CLK4ALDH1A1MAPTPTGFRCA2 | |
| SCHEMBL21187726 | 0.79 | ADORA2A (0.37) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22179704 | 0.77 | ADORA1 (0.39) | ADORA1CLK4ALDH1A1PTGFR | |
| SCHEMBL28443353 | 0.74 | NAMPT (0.41) | CLK4ALDH1A1PTGFR | |
| SCHEMBL29831787 | 0.74 | NAMPT (0.41) | CLK4ALDH1A1PTGFR | |
| SCHEMBL22180268 | 0.73 | NAMPT (0.39) | ADORA2AADORA1ADORA3ADORA2BCLK4 | |
| SCHEMBL30738306 | 0.72 | NAMPT (0.38) | CLK4DYRK1AALDH1A1PTGFRHPGD | |
| SCHEMBL22179997 | 0.72 | NAMPT (0.38) | CLK4DYRK1AALDH1A1PTGFRHPGD | |
| SCHEMBL22179987 | 0.71 | GSK3B (0.38) | CLK4DYRK1AKDM4EALDH1A1MAPT |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |