Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 18/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5021248 | 0.89 | LRRK2 (0.56) | LRRK2MAP3K14JAK2JAK1TYK2 | |
| SCHEMBL9930430 | 0.85 | LRRK2 (0.56) | LRRK2CYP1A2MAP3K14 | |
| SCHEMBL5021351 | 0.85 | LRRK2 (0.75) | LRRK2CYP1A2 | |
| SCHEMBL19433960 | 0.82 | LRRK2 (0.61) | LRRK2CYP1A2 | |
| SCHEMBL19433957 | 0.81 | LRRK2 (0.65) | LRRK2CYP1A2 | |
| SCHEMBL5021209 | 0.81 | LRRK2 (0.51) | LRRK2CYP1A2 | |
| SCHEMBL10286423 | 0.81 | LRRK2 (0.72) | LRRK2CYP1A2MAP3K14 | |
| SCHEMBL4558665 | 0.79 | LRRK2 (0.78) | LRRK2CYP1A2 | |
| SCHEMBL28442602 | 0.78 | LRRK2 (0.61) | LRRK2MAP3K14 | |
| SCHEMBL5021249 | 0.78 | LRRK2 (0.48) | 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 |