Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 4/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1354815 | 0.87 | CDK2 (0.39) | CCNA2CDK2LRRK2HSD11B1KIT | |
| SCHEMBL1356338 | 0.87 | CDK2 (0.39) | CCNA2CDK2SCN9ACCNKCDK12 | |
| SCHEMBL15586787 | 0.84 | MAOA (0.39) | LRRK2HSD11B1PTGDR2PTGS2NPC1 | |
| SCHEMBL29285186 | 0.83 | CREBBP (0.34) | CDK2LRRK2PIK3CDPTGDR2 | |
| SCHEMBL28569194 | 0.82 | BTK (0.42) | CDK2LRRK2PTGDR2KIT | |
| SCHEMBL30726626 | 0.81 | KIT (0.41) | CCNA2CDK2LRRK2PTGDR2KIT | |
| SCHEMBL29772856 | 0.81 | KDM4E (0.39) | CCNA2CDK2LRRK2HSD11B1PTGDR2 | |
| SCHEMBL30877452 | 0.80 | CCNA2 (0.43) | CCNA2CDK2LRRK2CCNKCDK12 | |
| SCHEMBL30877369 | 0.79 | ALDH1A1 (0.37) | LRRK2HSD11B1PTGDR2PTGS2 | |
| SCHEMBL29285155 | 0.79 | ALDH1A1 (0.37) | LRRK2HSD11B1PTGDR2PTGS2 |
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-117964643-B | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-07-02 | — | — | CN | disclosed |
| CN-117964643-A | Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof | 苏州朗睿生物医药有限公司 | 2024-05-03 | — | — | CN | disclosed |