Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8436488 | 0.89 | ADORA2A (0.51) | ADORA2AGRM2SIGMAR1HTR2C | |
| SCHEMBL8259797 | 0.85 | ADORA2A (0.49) | ADORA2AGRM2SIGMAR1DRD3HTR2C | |
| SCHEMBL8257921 | 0.85 | ADORA2A (0.48) | ADORA2AGRM2SIGMAR1DRD3HTR2C | |
| SCHEMBL8256580 | 0.85 | ADORA2A (0.44) | ADORA2AGRM2DRD3 | |
| SCHEMBL14922349 | 0.83 | ADORA2A (0.48) | ADORA2AGRM2SIGMAR1 | |
| SCHEMBL8226041 | 0.83 | ADORA2A (0.57) | ADORA2ASIGMAR1HTR2C | |
| SCHEMBL14922351 | 0.83 | ADORA2A (0.48) | ADORA2ASIGMAR1DRD3 | |
| SCHEMBL14922350 | 0.80 | ADORA2A (0.59) | ADORA2ASIGMAR1 | |
| SCHEMBL8221334 | 0.79 | ADORA2A (0.51) | ADORA2ASIGMAR1 | |
| SCHEMBL12021837 | 0.79 | ADA (0.40) | ADORA2A |
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 |