Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 6/20 | 0.53 |
| ▸ | IDH1 | O75874 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16744211 | 0.78 | TRPA1 (0.54) | MAPK1TRPA1MKNK1CHEK1AXL | |
| SCHEMBL12388171 | 0.75 | TRPA1 (0.50) | MAPK1TRPA1MKNK1CHEK1AXL | |
| SCHEMBL17119628 | 0.74 | LYN (0.45) | IDH1LYNSRCBTKCHEK1 | |
| SCHEMBL24446592 | 0.73 | TRPA1 (0.47) | MAPK1TRPA1CHEK1AXLALDH1A1 | |
| SCHEMBL29521073 | 0.72 | TRPA1 (0.49) | TRPA1CHEK1AXLALDH1A1MAPT | |
| SCHEMBL12110241 | 0.72 | TRPA1 (0.49) | TRPA1CHEK1AXLALDH1A1MAPT | |
| SCHEMBL23979642 | 0.72 | TRPA1 (0.48) | MAPK1TRPA1MKNK1CHEK1AXL | |
| SCHEMBL22016192 | 0.72 | DAO (0.59) | MAPK1IDH1LYNSRCBTK | |
| SCHEMBL22184893 | 0.71 | IDH1 (0.42) | MAPK1IDH1ALDH1A1MAPT | |
| SCHEMBL22185213 | 0.71 | IDH1 (0.40) | IDH1ALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115715292-A | 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-02-24 | — | — | CN | disclosed |