Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.72 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.72 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.72 |
| ▸ | PDE2A | O00408 | 1/20 | 0.62 |
| ▸ | PDE5A | O76074 | 1/20 | 0.62 |
| ▸ | PDE1A | P54750 | 1/20 | 0.62 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.62 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 16/20 | 0.53 |
| ▸ | HTR3A | P46098 | 4/20 | 0.52 |
| ▸ | HRH1 | P35367 | 2/20 | 0.52 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.46 |
| ▸ | TCF7L2 | Q9NQB0 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7129772 | 0.90 | PDE4A (0.58) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL7499338 | 0.85 | PDE4A (0.75) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL149748 | 0.83 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL5917665 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| Hydrochloric Acid SCHEMBL7502602 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL5917668 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| Potassium SCHEMBL7504150 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL7504141 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| Hydrochloric Acid SCHEMBL29801523 | 0.83 | PDE4A (0.98) | PDE4APDE4BPDE4CPDE4DPDE2A | |
| SCHEMBL7794280 | 0.83 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4DPDE2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941086-A4 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC (US) | 2000-07-12 | — | — | EP | disclosed |
| EP-0941086-A1 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | Nitromed, Inc. (US) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998019672-A9 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | — | 1998-09-11 | — | — | WO | disclosed |
| WO-1998019672-A1 | NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITOR COMPOUNDS, COMPOSITIONS AND THEIR USES | NITROMED INC. (US) | 1998-05-14 | — | — | WO | disclosed |