Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031682 | 0.84 | — | — | |
| SCHEMBL4031679 | 0.84 | — | — | |
| SCHEMBL3944928 | 0.80 | CYP8B1 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL4034087 | 0.78 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL3943081 | 0.78 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL4034084 | 0.78 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL3943077 | 0.78 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL1222834 | 0.77 | CYP2C19 (0.46) | CYP8B1ACVR1KCNH2CYP2C19PIK3CA | |
| SCHEMBL3636416 | 0.75 | CYP2C19 (0.54) | CYP8B1ACVR1KCNH2CYP2C19PIK3CA | |
| SCHEMBL3634872 | 0.75 | CYP2C19 (0.54) | CYP8B1ACVR1KCNH2CYP2C19PIK3CA |
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 |