Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 12/20 | 0.55 |
| ▸ | HTR1A | P08908 | 4/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12612333 | 0.82 | ADORA2A (0.60) | ADORA2A | |
| SCHEMBL14922350 | 0.79 | ADORA2A (0.59) | ADORA2AHTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL10329726 | 0.77 | ADORA2A (0.62) | ADORA2AHSP90AA1TRAP1HSP90AB1 | |
| SCHEMBL29794067 | 0.77 | ADORA2A (0.62) | ADORA2AHSP90AA1TRAP1HSP90AB1 | |
| SCHEMBL20118691 | 0.75 | HSP90AA1 (0.62) | ADORA2AHSP90AA1TRAP1HSP90AB1 | |
| SCHEMBL28729163 | 0.75 | ADORA2A (0.68) | ADORA2A | |
| SCHEMBL8221333 | 0.74 | HSP90AA1 (0.52) | ADORA2AHSP90AA1TRAP1HSP90AB1 | |
| SCHEMBL12404398 | 0.71 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL175230 | 0.70 | ADORA2A (0.47) | ADORA2A | |
| SCHEMBL28701258 | 0.70 | HSP90AA1 (0.49) | HSP90AA1TRAP1HSP90AB1 |
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 |