Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.31 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL73417 | 0.85 | PDE4D (0.38) | NPC1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL73992 | 0.85 | PDE4B (0.39) | NPC1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL73786 | 0.77 | PDE4D (0.57) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL73917 | 0.76 | PDE4D (0.36) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL73069 | 0.76 | MAPT (0.40) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL5504865 | 0.76 | ALDH1A1 (0.39) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL26906599 | 0.71 | GAA (0.37) | CRHR1PDE1APDE1BPDE1CGRIN1 | |
| SCHEMBL75082 | 0.71 | ALDH1A1 (0.44) | NPC1PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL85521 | 0.69 | PDE4D (0.54) | PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL3873741 | 0.69 | PDE4B (0.36) | PDE4DPDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1831227-B1 | NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS | GLENMARK PHARMACEUTICALS SA (CH) | 2013-06-19 | — | — | EP | disclosed |