Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 15/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16065954 | 0.85 | ADORA3 (0.55) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12165529 | 0.84 | ADORA3 (0.56) | ADORA3ADORA2AADORA1CYP1A2CYP2C19 | |
| SCHEMBL12165502 | 0.84 | ADORA3 (0.56) | ADORA3ADORA2AADORA1 | |
| SCHEMBL16065952 | 0.82 | ADORA3 (0.56) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12165501 | 0.82 | ADORA3 (0.54) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12165531 | 0.82 | ADORA3 (0.49) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12188014 | 0.81 | ADORA3 (0.55) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12165745 | 0.80 | ADORA3 (0.50) | ADORA3ADORA2AADORA1 | |
| SCHEMBL12655143 | 0.80 | ADORA3 (0.52) | ADORA3ADORA2AADORA1 | |
| SCHEMBL14922233 | 0.80 | ADORA3 (0.52) | ADORA3ADORA2AADORA1 |
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-2509983-B1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2014-09-17 | — | — | EP | disclosed |
| US-8435994-B2 | Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |