Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | KLK7 | P49862 | 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 | |
|---|---|---|---|---|
| SCHEMBL28657537 | 0.88 | RAPGEF4 (0.43) | RAPGEF4FABP4PIK3C3KMT2AMET | |
| SCHEMBL29548843 | 0.80 | L3MBTL1 (0.49) | RAPGEF4HTR6MAPTHTTALDH1A1 | |
| SCHEMBL28721164 | 0.80 | L3MBTL1 (0.49) | RAPGEF4HTR6MAPTHTTALDH1A1 | |
| SCHEMBL28926491 | 0.74 | CYP2C19 (0.39) | HTR6MAPTALDH1A1TP53 | |
| SCHEMBL29247906 | 0.73 | RAPGEF4 (0.44) | RAPGEF4FABP4PIK3C3KMT2AMET | |
| SCHEMBL28017834 | 0.72 | RAPGEF4 (0.43) | RAPGEF4FABP4PIK3C3HTR6MET | |
| SCHEMBL28651709 | 0.71 | RAPGEF4 (0.39) | RAPGEF4FABP4PIK3C3HTR6MAPT | |
| SCHEMBL3625322 | 0.69 | FABP4 (0.59) | RAPGEF4FABP4HTR6CYP3A4 | |
| SCHEMBL31410906 | 0.69 | CYP2C19 (0.50) | HTR6KMT2AMETHTTALDH1A1 | |
| SCHEMBL27734768 | 0.69 | RAPGEF4 (0.65) | RAPGEF4HTR6METMAPTHTT |
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 |