Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 4/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28954919 | 1.00 | LRRK2 (0.48) | LRRK2ADORA1ADORA2ACDK5CDK5R1 | |
| SCHEMBL3287223 | 0.79 | LRRK2 (0.46) | LRRK2ADORA1ADORA2ACDK5CDK5R1 | |
| SCHEMBL9359308 | 0.70 | LRRK2 (0.43) | LRRK2ADORA1ADORA2ATDO2PDE3A | |
| SCHEMBL1028589 | 0.70 | KDM1A (0.45) | LRRK2ADORA1ADORA2AFLT4MAPK8 | |
| SCHEMBL11937878 | 0.69 | LRRK2 (0.46) | LRRK2ADORA1ADORA2ACDK5CDK5R1 | |
| SCHEMBL9680772 | 0.68 | ADORA1 (0.55) | ADORA1ADORA2ACDK5CDK5R1TDO2 | |
| SCHEMBL12470406 | 0.67 | KDM4E (0.43) | CDK5CDK5R1DYRK1AKDM4EMEN1 | |
| SCHEMBL1996285 | 0.65 | LRRK2 (0.34) | LRRK2CYP2C9CYP2C19KDM4EMEN1 | |
| SCHEMBL30701246 | 0.65 | LRRK2 (0.34) | LRRK2CYP2C9CYP2C19KDM4EMEN1 | |
| SCHEMBL16177867 | 0.65 | LRRK2 (1.00) | LRRK2 |
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-115710219-B | Method for preparing meta-cyano-substituted pyridine compound | 南开大学 | 2024-12-03 | — | — | CN | disclosed |
| CN-115710219-A | Method for preparing meta cyano-substituted pyridine compound | 南开大学 | 2023-02-24 | — | — | CN | disclosed |