Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 20/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.58 |
| ▸ | TTK | P33981 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL9284197 | 0.88 | LRRK2 (0.76) | LRRK2CYP1A2TTK | |
| SCHEMBL9931121 | 0.83 | LRRK2 (0.78) | LRRK2CYP1A2TTK | |
| SCHEMBL18455174 | 0.77 | LRRK2 (0.80) | LRRK2CYP1A2TTK | |
| SCHEMBL15528389 | 0.75 | LRRK2 (0.82) | LRRK2CYP1A2TTK | |
| SCHEMBL16469536 | 0.74 | LRRK2 (1.00) | LRRK2CYP1A2TTK | |
| SCHEMBL16469355 | 0.74 | LRRK2 (0.78) | LRRK2CYP1A2TTK | |
| SCHEMBL27918107 | 0.74 | LRRK2 (0.72) | LRRK2CYP1A2TTK | |
| SCHEMBL20555633 | 0.74 | LRRK2 (0.82) | LRRK2CYP1A2TTK | |
| SCHEMBL4561082 | 0.74 | LRRK2 (0.81) | LRRK2CYP1A2TTK | |
| SCHEMBL9969926 | 0.73 | LRRK2 (1.00) | LRRK2CYP1A2TTK |
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 |