Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 16/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6313641 | 0.86 | PDE5A (0.56) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL4055148 | 0.83 | PDE5A (0.64) | PDE5APDE3BPDE3A | |
| SCHEMBL6314197 | 0.82 | PDE5A (0.54) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL4715352 | 0.82 | PDE5A (0.65) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL6312158 | 0.81 | PDE5A (0.50) | PDE5AADORA2BADORA3ADORA1ADORA2A | |
| SCHEMBL6313024 | 0.81 | PDE5A (0.62) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL6311874 | 0.81 | PDE5A (0.61) | PDE5APDE3BPDE3A | |
| SCHEMBL6307678 | 0.80 | PDE5A (0.66) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL6305289 | 0.79 | PDE5A (0.61) | PDE5AADORA2BADORA3ADORA1PDE3B | |
| SCHEMBL6313019 | 0.78 | PDE5A (0.50) | PDE5AADORA2BADORA2APDE3BPDE3A |
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-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 |