Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | FABP4 | P15090 | 3/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 2/20 | 0.30 |
| ▸ | BTK | Q06187 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28639441 | 0.86 | RAPGEF4 (0.33) | RAPGEF4FABP4PIK3C3KLK7 | |
| SCHEMBL26720584 | 0.83 | L3MBTL1 (0.44) | RAPGEF4MAPTHTTL3MBTL1GAA | |
| SCHEMBL28657466 | 0.80 | CYP2C19 (0.41) | HTTALDH1A1CYP2C19 | |
| SCHEMBL28657537 | 0.77 | RAPGEF4 (0.43) | RAPGEF4MAPTFABP4PIK3C3HTT | |
| SCHEMBL28802486 | 0.77 | PIK3C3 (0.48) | RAPGEF4FABP4PIK3C3 | |
| SCHEMBL26043592 | 0.74 | IRAK4 (0.33) | JAK2BTK | |
| SCHEMBL23403832 | 0.74 | RAPGEF4 (0.36) | RAPGEF4FABP4PIK3C3L3MBTL1JAK2 | |
| SCHEMBL31465621 | 0.74 | RAPGEF4 (0.36) | RAPGEF4FABP4PIK3C3L3MBTL1JAK2 | |
| SCHEMBL20443312 | 0.73 | IRAK4 (0.32) | JAK2BTK | |
| SCHEMBL28852705 | 0.73 | FABP4 (0.45) | RAPGEF4FABP4KLK7L3MBTL1 |
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-110041253-B | Pyridine N-oxide derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-110198941-B | Pyrrolopyridine N-oxide derivative and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-09-28 | — | — | CN | disclosed |