Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 18/20 | 0.89 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.89 |
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.89 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4051706 | 0.94 | ADORA2B (1.00) | ADORA2BADORA1ADORA3ADORA2ATP53 | |
| SCHEMBL4058804 | 0.94 | ADORA2B (0.89) | ADORA2BADORA1ADORA3ADORA2ATP53 | |
| SCHEMBL4051648 | 0.92 | ADORA2B (0.79) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4059576 | 0.91 | ADORA2B (1.00) | ADORA2BADORA1ADORA3ADORA2ATP53 | |
| SCHEMBL4047846 | 0.90 | ADORA2B (0.91) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4225736 | 0.89 | ADORA2B (0.72) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4716699 | 0.88 | ADORA2B (0.70) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4052138 | 0.88 | ADORA2B (0.85) | ADORA2BADORA1ADORA3ADORA2ATP53 | |
| SCHEMBL4053554 | 0.88 | ADORA2B (0.70) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL6158129 | 0.87 | ADORA2B (0.85) | ADORA2BADORA1ADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7504398-B2 | potent and selective antagonists of adenosine receptors; Parkinson's disease, asthma, allergies, inflammation, atherosclerosis, hypertension, gastrointestinal disorders, cell proliferation and autoimmune diseases; sulfonamidation | LABORATORIOS ALMIRALL S.A. (ES) | 2009-03-17 | — | — | US | disclosed |
| EP-1492793-B1 | NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES | ALMIRALL LAB (ES) | 2008-01-16 | — | — | EP | disclosed |