Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3268539 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3269889 | 0.76 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL3269621 | 0.74 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL3270277 | 0.74 | ADORA2A (0.76) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7076733 | 0.74 | ADORA2A (0.59) | ADORA2AADORA1XDH | |
| SCHEMBL3268025 | 0.72 | ADORA2A (0.62) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3272472 | 0.72 | ADORA2A (0.69) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3269358 | 0.72 | ADORA2A (0.82) | ADORA2AADORA1 | |
| SCHEMBL3273422 | 0.72 | ADORA2A (0.83) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3269113 | 0.72 | ADORA2A (0.77) | ADORA2AADORA1 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |