Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.37 |
| ▸ | CPB1 | P15086 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1223261 | 0.85 | ALDH1A1 (0.45) | CYP8B1KCNH2SMPD3CPB1CTSL | |
| SCHEMBL1224380 | 0.81 | ALDH1A1 (0.42) | CYP8B1KCNH2SMPD3CPB1CTSL | |
| SCHEMBL3942575 | 0.80 | CYP8B1 (0.40) | CYP8B1KCNH2 | |
| SCHEMBL4029185 | 0.77 | KCNH2 (0.44) | CYP8B1KCNH2 | |
| SCHEMBL4034084 | 0.75 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL3943077 | 0.75 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL4034087 | 0.75 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL3943081 | 0.75 | KCNH2 (0.37) | CYP8B1KCNH2 | |
| SCHEMBL3944808 | 0.72 | HSD11B1 (0.45) | KCNH2CTSLCTSBCTSKKDM1A | |
| SCHEMBL1224645 | 0.72 | KCNH2 (0.44) | KCNH2SMPD3CTSLCTSBCTSK |
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 |