Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 19/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.64 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL3274897 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3274495 | 0.85 | ADORA2A (0.61) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3272428 | 0.82 | ADORA2A (0.80) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3270277 | 0.81 | ADORA2A (0.76) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3267549 | 0.80 | ADORA2A (0.78) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3269076 | 0.80 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3277224 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3272472 | 0.79 | ADORA2A (0.69) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3270103 | 0.79 | HDAC6 (0.41) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3269231 | 0.79 | ADORA2A (0.63) | ADORA2AADORA1ADORA3ADORA2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-B1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RES LTD (GB) | 2010-06-16 | — | — | EP | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |