Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ATF4 | P18848 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL536780 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536779 | 1.00 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL1845258 | 0.87 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL1845253 | 0.87 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL20416885 | 0.86 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL18679939 | 0.86 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL22940745 | 0.86 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL22242037 | 0.86 | ADORA2A (0.50) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536593 | 0.86 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536592 | 0.86 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114276349-B | 2-aminopterine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-114276349-A | 2-aminopteridinone derivative or salt thereof, and preparation method and application thereof | 复旦大学 | 2022-04-05 | — | — | CN | disclosed |