Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23968807 | 0.84 | ITGB3 (0.40) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL14671193 | 0.83 | ITGB3 (0.42) | ITGB3ITGA2BHSD17B10EGLN1CYP3A4 | |
| SCHEMBL23968808 | 0.80 | ITGB3 (0.37) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL23896280 | 0.80 | ITGB3 (0.37) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL23906394 | 0.80 | ITGB3 (0.37) | ITGB3ITGA2BHSD17B10 | |
| SCHEMBL14671149 | 0.79 | ITGB3 (0.43) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL25547732 | 0.77 | ITGB3 (0.35) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL25477017 | 0.77 | ITGB3 (0.35) | ITGB3ITGA2BHSD17B10 | |
| SCHEMBL20793975 | 0.76 | TSHR (0.42) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 | |
| SCHEMBL20793573 | 0.76 | ITGB3 (0.38) | ITGB3ITGA2BHSD17B10CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021203025-A1 | 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |