Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.42 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17336023 | 0.91 | HSP90AB1 (0.50) | HSP90AB1NOS3NOS1NOS2HSP90AA1 | |
| SCHEMBL17349442 | 0.75 | HSP90AA1 (0.51) | HSP90AB1HSP90AA1HRH2HRH3TUBB3 | |
| SCHEMBL17336036 | 0.72 | HRH2 (0.46) | HSP90AB1HSP90AA1HRH2HRH3TUBB3 | |
| SCHEMBL23153346 | 0.72 | HSP90AB1 (0.48) | HSP90AB1NOS3NOS1NOS2HSP90AA1 | |
| SCHEMBL1426067 | 0.68 | HSP90AA1 (0.56) | HSP90AB1HSP90AA1 | |
| SCHEMBL23153308 | 0.67 | HSP90AB1 (0.51) | HSP90AB1NOS3NOS1HSP90AA1CYP2C19 | |
| SCHEMBL14209035 | 0.65 | HSP90AB1 (0.49) | HSP90AB1NOS3NOS1HSP90AA1CYP2C19 | |
| SCHEMBL18750348 | 0.65 | HSP90AB1 (0.48) | HSP90AB1NOS3NOS1NOS2HSP90AA1 | |
| SCHEMBL17349619 | 0.65 | HSP90AB1 (0.48) | HSP90AB1NOS3NOS1NOS2HSP90AA1 | |
| SCHEMBL17349606 | 0.65 | HSP90AB1 (0.48) | HSP90AB1NOS3NOS1HSP90AA1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015192119-A1 | PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME | YUMA THERAPEUTICS, INC. (US) | 2015-12-17 | — | — | WO | disclosed |