Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1946588 | 0.93 | ADORA2B (0.53) | ADORA2BADORA2A | |
| SCHEMBL1945740 | 0.83 | MAOB (0.44) | ADORA2BADORA2AADORA1 | |
| SCHEMBL1946574 | 0.82 | ADORA2B (0.45) | ADORA2BADORA2AADORA3 | |
| SCHEMBL1948015 | 0.79 | KDM4E (0.43) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL5685545 | 0.77 | ADORA2A (0.54) | ADORA2BADORA2AL3MBTL1 | |
| SCHEMBL1945199 | 0.76 | ADORA3 (0.40) | ADORA2BADORA2AADORA3 | |
| SCHEMBL1946828 | 0.75 | ADORA2B (0.51) | ADORA2BADORA2A | |
| SCHEMBL1944313 | 0.75 | ADORA3 (0.46) | ADORA3ADORA1 | |
| SCHEMBL1945222 | 0.74 | MEN1 (0.41) | ADORA2BADORA2AADORA3ADORA1 | |
| SCHEMBL2533812 | 0.74 | ADORA2A (0.35) | ADORA2BADORA2ATSHRADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1622908-B1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-08-06 | — | — | EP | disclosed |