Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 1.00 |
| ▸ | ADORA2B | P29275 | 4/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.62 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | CLK2 | P49760 | 1/20 | 0.50 |
| ▸ | CLK3 | P49761 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21581788 | 1.00 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3DYRK3 | |
| SCHEMBL21581742 | 0.82 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21581745 | 0.82 | ADORA2A (0.69) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21581821 | 0.80 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21731054 | 0.79 | ADORA2A (0.66) | ADORA2AADORA2BADORA1ADORA3DYRK3 | |
| SCHEMBL21581808 | 0.77 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21581848 | 0.76 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21581801 | 0.75 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21583421 | 0.75 | ADORA2A (0.64) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL21581744 | 0.74 | ADORA2A (1.00) | ADORA2AADORA2BADORA1ADORA3 |
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-109963854-B | Heteroaryl [4,3-c ] pyrimidine-5-amine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |