Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.42 |
| ▸ | OXTR | P30559 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131776 | 0.79 | NPC1 (0.40) | ALDH1A1NPSR1MCOLN3L3MBTL1MAPT | |
| SCHEMBL29131767 | 0.79 | ALDH1A1 (0.40) | ALDH1A1NPSR1MCOLN3L3MBTL1NPC1 | |
| SCHEMBL25425550 | 0.77 | RAPGEF4 (0.50) | ALDH1A1NPSR1MCOLN3L3MBTL1MAPT | |
| SCHEMBL30877425 | 0.77 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTHTTPOLB | |
| SCHEMBL30877448 | 0.76 | ALDH1A1 (0.46) | ALDH1A1NPSR1MCOLN3L3MBTL1MAPT | |
| SCHEMBL30877303 | 0.76 | ALDH1A1 (0.43) | ALDH1A1NPSR1MCOLN3L3MBTL1MAPT | |
| SCHEMBL30877446 | 0.76 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1MAPTHTTPOLB | |
| SCHEMBL30877423 | 0.75 | ALDH1A1 (0.39) | ALDH1A1NPSR1MCOLN3L3MBTL1MAPT | |
| SCHEMBL28733308 | 0.74 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MAPTPKMGAA | |
| SCHEMBL29131784 | 0.74 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1MAPTHTTPOLB |
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 |