Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 5/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL23906116 | 0.82 | RXRA (0.38) | ADORA2A | |
| SCHEMBL23906056 | 0.81 | GCGR (0.41) | — | |
| SCHEMBL23896376 | 0.62 | RXRA (0.41) | — | |
| SCHEMBL21901346 | 0.62 | — | — | |
| SCHEMBL19779245 | 0.59 | NOS3 (0.31) | — | |
| SCHEMBL11381853 | 0.58 | CYP3A4 (0.61) | MAP4K4TLR8TLR7TLR9DYRK1A | |
| SCHEMBL2684827 | 0.58 | ALOX15 (0.52) | MAP4K4TLR8TLR7TLR9DYRK1A | |
| SCHEMBL23887749 | 0.58 | TLR8 (0.38) | TLR8TLR7TLR9AAK1 | |
| SCHEMBL1896511 | 0.57 | DYRK1A (0.65) | MAP4K4CLK1DYRK1APIK3CB | |
| SCHEMBL30308690 | 0.57 | DYRK1A (0.65) | MAP4K4CLK1DYRK1APIK3CB |
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 |