Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 19/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10286423 | 0.88 | LRRK2 (0.72) | LRRK2KCNH2CYP1A2 | |
| SCHEMBL9284774 | 0.84 | LRRK2 (0.82) | LRRK2CYP1A2 | |
| SCHEMBL5020951 | 0.84 | LRRK2 (0.80) | LRRK2CYP1A2 | |
| SCHEMBL5021174 | 0.78 | LRRK2 (0.58) | LRRK2KCNH2 | |
| SCHEMBL5020932 | 0.77 | LRRK2 (0.59) | LRRK2CYP1A2 | |
| SCHEMBL16469033 | 0.76 | LRRK2 (1.00) | LRRK2 | |
| SCHEMBL4564821 | 0.76 | LRRK2 (0.73) | LRRK2CYP1A2 | |
| SCHEMBL4561209 | 0.73 | LRRK2 (0.79) | LRRK2CYP1A2 | |
| SCHEMBL5021011 | 0.73 | LRRK2 (0.56) | LRRK2KCNH2CYP1A2 | |
| SCHEMBL25951749 | 0.73 | LRRK2 (0.70) | LRRK2KCNH2CYP1A2 |
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-2012062783-A1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-18 | — | — | WO | disclosed |