Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.38 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3946267 | 1.00 | KCNH2 (0.40) | KCNH2SLC2A1CYP8B1 | |
| SCHEMBL4035891 | 0.95 | KCNH2 (0.41) | KCNH2SLC2A1 | |
| SCHEMBL3941340 | 0.95 | KCNH2 (0.41) | KCNH2SLC2A1 | |
| SCHEMBL3941342 | 0.95 | KCNH2 (0.41) | KCNH2SLC2A1 | |
| SCHEMBL4035886 | 0.95 | KCNH2 (0.41) | KCNH2SLC2A1 | |
| SCHEMBL3943077 | 0.90 | KCNH2 (0.37) | KCNH2SLC2A1CYP8B1 | |
| SCHEMBL4034087 | 0.90 | KCNH2 (0.37) | KCNH2SLC2A1CYP8B1 | |
| SCHEMBL3943081 | 0.90 | KCNH2 (0.37) | KCNH2SLC2A1CYP8B1 | |
| SCHEMBL4034084 | 0.90 | KCNH2 (0.37) | KCNH2SLC2A1CYP8B1 | |
| SCHEMBL3943775 | 0.89 | KCNH2 (0.36) | KCNH2SLC2A1 |
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-2009034546-A2 | TRANS-DECAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-03-19 | — | — | WO | disclosed |