Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5690282 | 0.87 | ADORA3 (0.39) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL940189 | 0.78 | ADORA2A (0.55) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL258935 | 0.77 | ADORA3 (0.59) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL5689838 | 0.76 | ADORA3 (0.67) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL5964576 | 0.76 | ADORA3 (0.67) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL8109955 | 0.74 | ADORA2A (0.64) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL28901883 | 0.74 | AHCY (0.61) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL177772 | 0.74 | AHCY (0.61) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL29877256 | 0.74 | AHCY (0.61) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2295172 | 0.74 | ADORA2A (0.65) | ADORA3ADORA2AADORA1ADORA2B |
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-1638579-A2 | COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY | EMORY UNIVERSITY (US) | 2006-03-29 | — | — | EP | claimed |
| WO-2005003150-A2 | COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY | EMORY UNIVERSITY (US) | 2005-01-13 | — | — | WO | claimed |