Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.53 |
| ▸ | MELK | Q14680 | 3/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29725367 | 1.00 | LRRK2 (0.53) | LRRK2MELKMAP4K4ROCK2ROCK1 | |
| SCHEMBL28731759 | 1.00 | LRRK2 (0.53) | LRRK2MELKMAP4K4ROCK2ROCK1 | |
| SCHEMBL27242871 | 1.00 | LRRK2 (0.53) | LRRK2MELKMAP4K4ROCK2ROCK1 | |
| SCHEMBL27242887 | 0.92 | MELK (0.54) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL22964081 | 0.92 | LRRK2 (0.52) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL27242868 | 0.92 | LRRK2 (0.52) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL29725409 | 0.92 | LRRK2 (0.52) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL22964053 | 0.92 | MELK (0.54) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL29725427 | 0.92 | MELK (0.54) | LRRK2MELKROCK2ROCK1GSK3B | |
| SCHEMBL27242873 | 0.92 | LRRK2 (0.52) | LRRK2MELKROCK2ROCK1GSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114174279-A | Bicyclic heterocyclic compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2022-03-11 | — | — | CN | claimed |
| CN-114174279-A | Bicyclic heterocyclic compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2022-03-11 | — | — | CN | disclosed |