Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | ATF4 | P18848 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1845253 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL18679939 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536593 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536779 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536592 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL20416885 | 0.87 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL18679940 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL22940745 | 0.87 | ADORA2A (0.48) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL22242037 | 0.87 | ADORA2A (0.50) | ADORA2AADORA3ADORA2BADORA1DCPS | |
| SCHEMBL536780 | 0.87 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2321321-A1 | TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS | Vernalis (R&D) Limited (GB) | 2011-05-18 | — | — | EP | disclosed |
| WO-2009156737-A1 | TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS | VERNALIS (R&D) LIMITED (GB) | 2009-12-30 | — | — | WO | disclosed |