Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 15/20 | 0.34 |
| ▸ | PDE1A | P54750 | 3/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.34 |
| ▸ | PDE6D | O43924 | 1/20 | 0.34 |
| ▸ | PDE8A | O60658 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | PDE6A | P16499 | 1/20 | 0.34 |
| ▸ | PDE6G | P18545 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3453681 | 0.79 | PDE5A (0.53) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL5198403 | 0.76 | PDE5A (0.45) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL7496137 | 0.74 | — | — | |
| SCHEMBL7450974 | 0.72 | PDE5A (0.45) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL7449440 | 0.71 | PDE5A (0.56) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL5076135 | 0.71 | PDE5A (0.54) | PDE5APDE1APDE1BPDE1CPDE3B | |
| SCHEMBL7334441 | 0.70 | PDE5A (0.66) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL5795456 | 0.66 | CA12 (0.59) | PDE5APDE1APDE1BPDE1CPDE4B | |
| SCHEMBL5201813 | 0.65 | NPSR1 (0.41) | PDE5APDE6CCA12CA9 | |
| SCHEMBL7361790 | 0.61 | — | — |
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-2001003644-A2 | PYRAZOLOPYRIMIDINONE DERIVATIVES CONJUGATED TO THIOPHENE MOIETIES OR BENZO [FUSED] 5-MEMBERED HETEROCYCLES FOR ERECTILE DYSFUNCTION | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) | 2001-01-18 | — | — | WO | claimed |