Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | PDE4A | P27815 | 2/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.57 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17243625 | 0.87 | KCNH2 (0.55) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243929 | 0.86 | KCNH2 (0.57) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17233514 | 0.85 | KCNH2 (0.73) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243928 | 0.76 | PDE4B (0.61) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243620 | 0.74 | PDE4A (0.54) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243619 | 0.74 | PDE4B (0.54) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243624 | 0.73 | PDE4A (0.53) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243615 | 0.73 | PDE4A (0.53) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| SCHEMBL17243638 | 0.73 | KCNH2 (0.59) | KCNH2PDE4BPDE4DCYP2C9PDE4A | |
| Mk-0873 SCHEMBL4950462 | 0.73 | PDE4A (1.00) | KCNH2PDE4BPDE4DCYP2C9PDE4A |
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 |