Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29131767 | 0.92 | ALDH1A1 (0.40) | ALDH1A1NPSR1MCOLN3KLK7PKM | |
| SCHEMBL30877239 | 0.82 | BRD4 (0.41) | ALDH1A1NPSR1MCOLN3KLK7NPC1 | |
| SCHEMBL30877349 | 0.81 | ALDH1A1 (0.38) | ALDH1A1NPSR1MCOLN3KLK7PKM | |
| SCHEMBL30877309 | 0.81 | RAPGEF4 (0.45) | ALDH1A1NPSR1PKML3MBTL1HTT | |
| SCHEMBL30877341 | 0.81 | BRD4 (0.38) | ALDH1A1NPSR1MCOLN3KLK7PKM | |
| SCHEMBL30877387 | 0.80 | ALDH1A1 (0.36) | ALDH1A1NPSR1MCOLN3KLK7PKM | |
| SCHEMBL30877417 | 0.79 | PIM1 (0.38) | ALDH1A1NPSR1MCOLN3KLK7BRD4 | |
| SCHEMBL30877411 | 0.79 | BRD4 (0.38) | ALDH1A1NPSR1MCOLN3KLK7PKM | |
| SCHEMBL30877365 | 0.78 | ALDH1A1 (0.35) | ALDH1A1NPSR1MCOLN3L3MBTL1PDE4A | |
| SCHEMBL30877241 | 0.78 | MET (0.39) | ALDH1A1BRD4KDM4E |
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 |