Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.73 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.73 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4055021 | 0.94 | ADORA2B (0.73) | ADORA2BADORA3ADORA1PKMADORA2A | |
| SCHEMBL4056662 | 0.93 | ADORA2B (0.84) | ADORA2BADORA3ADORA1PKMALDH1A1 | |
| SCHEMBL4050202 | 0.91 | ADORA2B (0.87) | ADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL4063088 | 0.91 | ADORA2B (0.83) | ADORA2BADORA3ADORA1PKMADORA2A | |
| SCHEMBL4719097 | 0.90 | ADORA2B (0.68) | ADORA2BADORA3ADORA1PKMADORA2A | |
| SCHEMBL4055165 | 0.89 | ADORA2B (0.84) | ADORA2BADORA3ADORA1PKMADORA2A | |
| SCHEMBL4050752 | 0.85 | ADORA2B (0.88) | ADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL4231377 | 0.85 | ADORA2B (0.84) | ADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL4055136 | 0.84 | ADORA2B (1.00) | ADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL4056690 | 0.82 | ADORA2B (1.00) | ADORA2BADORA3ADORA1ADORA2A |
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 |