Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 20/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.58 |
| ▸ | TTK | P33981 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5021244 | 0.89 | LRRK2 (0.69) | LRRK2CYP1A2TTK | |
| SCHEMBL4562047 | 0.85 | LRRK2 (0.58) | LRRK2CYP1A2TTK | |
| SCHEMBL4559379 | 0.83 | LRRK2 (0.83) | LRRK2CYP1A2TTK | |
| SCHEMBL4540863 | 0.82 | LRRK2 (0.55) | LRRK2CYP1A2TTK | |
| SCHEMBL5021245 | 0.79 | LRRK2 (0.69) | LRRK2CYP1A2TTK | |
| SCHEMBL10286422 | 0.78 | LRRK2 (0.61) | LRRK2CYP1A2TTK | |
| SCHEMBL5021224 | 0.77 | LRRK2 (0.57) | LRRK2CYP1A2TTK | |
| SCHEMBL5020930 | 0.77 | LRRK2 (0.47) | LRRK2CYP1A2TTK | |
| SCHEMBL5021217 | 0.77 | LRRK2 (0.47) | LRRK2CYP1A2TTK | |
| SCHEMBL5021213 | 0.77 | LRRK2 (0.58) | LRRK2CYP1A2 |
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 |