Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 20/20 | 0.72 |
| ▸ | JAK2 | O60674 | 1/20 | 0.64 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.64 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.64 |
| ▸ | TTK | P33981 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL19921205 | 0.92 | LRRK2 (0.78) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL17980606 | 0.83 | LRRK2 (0.77) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL14642106 | 0.83 | LRRK2 (0.86) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL18018784 | 0.82 | LRRK2 (1.00) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL29429993 | 0.82 | LRRK2 (1.00) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL18018881 | 0.82 | LRRK2 (1.00) | LRRK2JAK2MAP3K9MKNK2 | |
| SCHEMBL12066134 | 0.81 | LRRK2 (1.00) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL22985885 | 0.80 | LRRK2 (0.85) | LRRK2TTK | |
| SCHEMBL22264283 | 0.80 | TTK (0.82) | LRRK2JAK2MAP3K9MKNK2TTK | |
| SCHEMBL22264303 | 0.80 | LRRK2 (0.79) | LRRK2TTK |
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-2016173477-A1 | PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF | 厦门大学 | 2016-11-03 | — | — | WO | disclosed |