Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10730430 | 0.78 | NOS3 (0.46) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL5517171 | 0.76 | NOS3 (0.44) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL27778961 | 0.76 | NOS3 (0.44) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL1161623 | 0.76 | CCR1 (0.50) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL2125060 | 0.76 | NOS3 (0.50) | NOS3NOS1NOS2ADORA2AADORA1 | |
| SCHEMBL1161423 | 0.76 | CCR1 (0.50) | NOS3NOS1NOS2ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL27554469 | 0.74 | NOS3 (0.43) | NOS3NOS1NOS2 | |
| SCHEMBL13809555 | 0.74 | NOS2 (0.43) | NOS3NOS1NOS2 | |
| SCHEMBL10647517 | 0.73 | NOS3 (0.41) | NOS3NOS1NOS2 | |
| SCHEMBL19413635 | 0.73 | NOS3 (0.41) | NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791714-B | N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |