Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 15/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21796914 | 0.87 | LRRK2 (0.52) | LRRK2CYP2C19EGLN2EGLN1EGLN3 | |
| SCHEMBL21796777 | 0.86 | LRRK2 (0.41) | LRRK2 | |
| SCHEMBL28610253 | 0.84 | LRRK2 (0.58) | LRRK2KMO | |
| SCHEMBL21796796 | 0.80 | LRRK2 (0.49) | LRRK2EGLN2EGLN1EGLN3 | |
| SCHEMBL21796915 | 0.80 | LRRK2 (0.55) | LRRK2KMOEGLN2EGLN1EGLN3 | |
| SCHEMBL21797057 | 0.80 | LRRK2 (0.55) | LRRK2KMOEGLN2EGLN1EGLN3 | |
| SCHEMBL21796901 | 0.78 | LRRK2 (0.35) | LRRK2SPR | |
| SCHEMBL18399251 | 0.74 | LRRK2 (0.58) | LRRK2CYP2C19EGLN2EGLN1EGLN3 | |
| SCHEMBL29043554 | 0.73 | NR3C1 (0.43) | — | |
| SCHEMBL248879 | 0.72 | KMO (0.41) | KMOCYP2C19NPC1ALDH1A1ATM |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137510-B | Compound (I) | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-07-20 | — | — | CN | disclosed |