Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 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 | |
|---|---|---|---|---|
| SCHEMBL29761062 | 0.87 | TRPA1 (0.47) | LRRK2MAPK1MKNK1PTK2RET | |
| SCHEMBL29761065 | 0.77 | LRRK2 (0.41) | LRRK2MAPK1HTTMKNK1PTK2 | |
| SCHEMBL29761000 | 0.76 | RET (0.41) | LRRK2MAPK1HTTMKNK1PTK2 | |
| SCHEMBL3677097 | 0.74 | L3MBTL1 (0.46) | LRRK2MAPK1HTTMKNK1PTK2 | |
| SCHEMBL29761017 | 0.73 | LRRK2 (0.45) | LRRK2 | |
| SCHEMBL16906740 | 0.71 | PTK2 (0.42) | HTTPTK2RPS6KB1TRPA1LMNA | |
| SCHEMBL29761064 | 0.68 | ADORA2A (0.51) | ADORA2ATRPA1 | |
| SCHEMBL19575560 | 0.68 | RET (0.40) | LRRK2MAPK1HTTMKNK1PTK2 | |
| SCHEMBL3260282 | 0.68 | BTK (0.47) | LRRK2MAPK1PTK2RETPI4KA | |
| SCHEMBL745097 | 0.68 | RET (0.43) | LRRK2MAPK1PTK2RETPI4KA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116425756-A | Adenosine receptor antagonist compounds and uses thereof | 日东制药株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-114829363-A | Adenosine receptor antagonist compounds | 日东制药株式会社 | 2022-07-29 | — | — | CN | disclosed |
| WO-2022107044-A1 | PREVENTION AND/OR TREATMENT OF CNS DISORDERS | ILDONG PHARMACEUTICAL CO., LTD. (KR) | 2022-05-27 | — | — | WO | disclosed |