Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.52 |
| ▸ | PDE4A | P27815 | 5/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | MAP3K14 | Q99558 | 13/20 | 0.41 |
| ▸ | PKD1 | P98161 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243626 | 0.89 | KCNH2 (0.51) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243636 | 0.87 | PDE4A (0.46) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243629 | 0.87 | PDE4A (0.46) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243634 | 0.86 | PDE4A (0.45) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243631 | 0.86 | PDE4A (0.45) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17233514 | 0.82 | KCNH2 (0.73) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243633 | 0.78 | PDE4A (0.48) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243635 | 0.78 | PDE4A (0.48) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243627 | 0.78 | PDE4A (0.49) | KCNH2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17243630 | 0.77 | PDE4A (0.49) | KCNH2PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-9181244-B1 | Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors | Xuanzhu Pharma Co., Ltd. (CN) | 2015-11-10 | — | — | US | disclosed |