Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7146934 | 0.88 | APP (0.51) | ADORA2AADORA1ADORA3ADORA2BAPP | |
| SCHEMBL5044498 | 0.86 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BAPP | |
| SCHEMBL7398624 | 0.85 | PDE5A (0.51) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7146937 | 0.85 | PDE5A (0.51) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7152948 | 0.85 | PDE5A (0.54) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7403612 | 0.85 | PDE5A (0.51) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7146061 | 0.84 | ADORA2A (0.48) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5040171 | 0.82 | ADORA2A (0.62) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7147939 | 0.81 | ADORA2A (0.58) | PDE5AADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7149785 | 0.80 | ADORA2A (0.66) | PDE5AADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | disclosed |