Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 7/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27242897 | 1.00 | MELK (0.50) | MELKMAP4K4PIK3CAMTORMAPK8 | |
| SCHEMBL27242929 | 0.89 | MELK (0.55) | MELKPIK3CAMTORDYRK1AMAPK1 | |
| SCHEMBL22964068 | 0.89 | MELK (0.55) | MELKPIK3CAMTORDYRK1AMAPK1 | |
| SCHEMBL29725367 | 0.85 | LRRK2 (0.53) | MELKMAP4K4LRRK2ROCK2DYRK1A | |
| SCHEMBL28731759 | 0.85 | LRRK2 (0.53) | MELKMAP4K4LRRK2ROCK2DYRK1A | |
| SCHEMBL28731618 | 0.85 | LRRK2 (0.53) | MELKMAP4K4LRRK2ROCK2DYRK1A | |
| SCHEMBL27242871 | 0.85 | LRRK2 (0.53) | MELKMAP4K4LRRK2ROCK2DYRK1A | |
| SCHEMBL27242937 | 0.83 | MELK (0.51) | MELKPIK3CAMTORMAPK8LRRK2 | |
| SCHEMBL22964176 | 0.82 | MELK (0.55) | MELKPIK3CAMTORDYRK1A | |
| SCHEMBL29725431 | 0.82 | MELK (0.55) | MELKPIK3CAMTORDYRK1A |
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 |