Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 17/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049675 | 0.92 | ADORA2B (0.64) | ADORA2BADORA1ADORA3KDM4EMAPT | |
| SCHEMBL4052153 | 0.87 | ADORA2B (0.73) | ADORA2BADORA1ADORA3KDM4EMAPT | |
| SCHEMBL4050510 | 0.87 | ADORA2B (0.64) | ADORA2BADORA1ADORA3KDM4EMAPT | |
| SCHEMBL4055276 | 0.86 | ADORA2B (0.71) | ADORA2BADORA1ADORA3KDM4EMAPT | |
| SCHEMBL4055136 | 0.83 | ADORA2B (1.00) | ADORA2BADORA1ADORA3SMN1; SMN2ADORA2A | |
| SCHEMBL4714157 | 0.83 | ADORA2B (0.56) | ADORA2BADORA1ADORA3KDM4EMAPT | |
| SCHEMBL4056662 | 0.81 | ADORA2B (0.84) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4050202 | 0.77 | ADORA2B (0.87) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4230739 | 0.77 | ADORA2B (0.54) | ADORA2BADORA1ADORA3ADORA2A | |
| SCHEMBL4061321 | 0.76 | ADORA2B (0.61) | 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 |