Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.58 |
| ▸ | TTK | P33981 | 7/20 | 0.54 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.49 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 2/20 | 0.45 |
| ▸ | CLK2 | P49760 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22659047 | 1.00 | LRRK2 (0.58) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL29409856 | 0.98 | LRRK2 (0.57) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL24556851 | 0.98 | LRRK2 (0.57) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL29409885 | 0.97 | LRRK2 (0.58) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL22658768 | 0.97 | LRRK2 (0.58) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL24556854 | 0.97 | LRRK2 (0.58) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL29409876 | 0.97 | LRRK2 (0.58) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL24556846 | 0.96 | TTK (0.59) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL29409878 | 0.96 | TTK (0.59) | LRRK2TTKPIK3CBMAPK8PTK2 | |
| SCHEMBL22658452 | 0.95 | LRRK2 (0.54) | LRRK2TTKPIK3CBMAPK8PTK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3968990-A1 | PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | Dana-Farber Cancer Institute, Inc. (US) | 2022-03-23 | — | — | EP | disclosed |