Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1243367 | 0.91 | ADORA2B (0.46) | ADORA2BADORA2ACHRM4ADORA3ADORA1 | |
| SCHEMBL9885749 | 0.91 | ADORA2B (0.45) | ADORA2BADORA2ACHRM4ADORA3ADORA1 | |
| SCHEMBL16299180 | 0.91 | ADORA2B (0.47) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL1002670 | 0.91 | ADORA2B (0.49) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL1243464 | 0.90 | ADORA2B (0.49) | ADORA2BADORA2ACHRM4ADORA3ADORA1 | |
| SCHEMBL1242614 | 0.90 | ADORA2B (0.46) | ADORA2BADORA2ACHRM4ADORA3ADORA1 | |
| SCHEMBL1243808 | 0.89 | ADORA2A (0.44) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL1002030 | 0.88 | ADORA2B (0.45) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL17364389 | 0.86 | ADORA2B (0.53) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL1243139 | 0.83 | ADORA2B (0.51) | ADORA2BADORA2ACHRM4ADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8193200-B2 | administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-06-05 | — | — | US | disclosed |