Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.83 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.83 |
| ▸ | ADA | P00813 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Preladenant SCHEMBL2856554 | 0.91 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL8287839 | 0.90 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL8243159 | 0.89 | ADORA2A (0.87) | ADORA2AADORA1 | |
| SCHEMBL21832807 | 0.89 | ADORA2A (0.87) | ADORA2AADORA1 | |
| SCHEMBL12969346 | 0.89 | ADORA2A (0.86) | ADORA2AADORA1 | |
| SCHEMBL21833941 | 0.88 | ADORA2A (0.89) | ADORA2AADORA1 | |
| SCHEMBL12821741 | 0.88 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL21833625 | 0.88 | ADORA2A (0.86) | ADORA2AADORA1 | |
| SCHEMBL30543453 | 0.88 | ADORA2A (0.88) | ADORA2AADORA1 | |
| SCHEMBL30858798 | 0.88 | ADORA2A (0.88) | ADORA2AADORA1 |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |