Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30206155 | 1.00 | LRRK2 (0.35) | LRRK2CYP1A2BUB1 | |
| SCHEMBL24944362 | 0.92 | LRRK2 (0.33) | LRRK2CYP1A2BUB1 | |
| SCHEMBL30205482 | 0.92 | LRRK2 (0.33) | LRRK2CYP1A2BUB1 | |
| SCHEMBL30205949 | 0.85 | LRRK2 (0.36) | LRRK2CYP1A2 | |
| SCHEMBL29173490 | 0.85 | LRRK2 (0.36) | LRRK2CYP1A2 | |
| SCHEMBL30206087 | 0.81 | IKBKB (0.33) | — | |
| SCHEMBL29173609 | 0.81 | IKBKB (0.33) | — | |
| SCHEMBL30205497 | 0.80 | LRRK2 (0.35) | LRRK2 | |
| SCHEMBL24944220 | 0.80 | LRRK2 (0.35) | LRRK2 | |
| SCHEMBL30206234 | 0.80 | LRRK2 (0.38) | LRRK2CYP1A2 |
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-117693503-A | Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2024-03-12 | — | — | CN | disclosed |