Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 4/20 | 0.38 |
| ▸ | FPR2 | P25090 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 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 | |
|---|---|---|---|---|
| SCHEMBL23906083 | 0.80 | DHODH (0.41) | — | |
| SCHEMBL23896210 | 0.79 | SCN9A (0.39) | SCN9AFPR2PDE10ACYP2C9LRRK2 | |
| SCHEMBL23896209 | 0.79 | SCN9A (0.39) | SCN9AFPR2PDE10ACYP2C9LRRK2 | |
| SCHEMBL23906339 | 0.79 | PTGFR (0.38) | DPP4 | |
| SCHEMBL23905555 | 0.79 | TNIK (0.42) | SCN9AFPR2DPP4LRRK2 | |
| SCHEMBL23906133 | 0.78 | RXRA (0.43) | SCN9AFPR2DPP4 | |
| SCHEMBL23884405 | 0.77 | MAPK1 (0.38) | SCN9AFPR2PDE10ACYP2C9 | |
| SCHEMBL23884524 | 0.77 | MAPK1 (0.38) | SCN9AFPR2PDE10ACYP2C9 | |
| SCHEMBL23884402 | 0.77 | MAPK1 (0.38) | SCN9AFPR2PDE10ACYP2C9 | |
| SCHEMBL30252004 | 0.77 | MAPK1 (0.38) | SCN9AFPR2PDE10ACYP2C9 |
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 |