Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 7/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 7/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 4/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30011367 | 1.00 | MAPKAPK2 (0.39) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL27752625 | 0.83 | MAPKAPK2 (0.39) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL28869879 | 0.83 | PDE3B (0.44) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL19751457 | 0.83 | PDE3B (0.44) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL30010831 | 0.83 | PDE3B (0.44) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL4135759 | 0.77 | DYRK1A (0.49) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL31093789 | 0.75 | F11 (0.47) | MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL29115637 | 0.74 | ATAD2 (0.50) | PARP1 | |
| SCHEMBL29960862 | 0.74 | ATAD2 (0.50) | PARP1 | |
| SCHEMBL29960664 | 0.74 | PARP1 (0.45) | ALDH1A1MAPTPARP1 |
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-115232121-B | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-115232121-A | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2022-10-25 | — | — | CN | disclosed |