Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 5/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 3/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | FPR2 | P25090 | 2/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
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 | 0.93 | DHODH (0.41) | DHODHCSNK2A2CSNK2BHMGCR | |
| SCHEMBL23906339 | 0.85 | PTGFR (0.38) | DHODHCHEK2DPP4CSNK2A2CSNK2B | |
| SCHEMBL23906114 | 0.82 | HPSE (0.36) | DHODHCHEK2DPP4CSNK2A2CSNK2B | |
| SCHEMBL23906133 | 0.80 | RXRA (0.43) | DHODHCHEK2DPP4SCN9AFPR2 | |
| SCHEMBL23906123 | 0.79 | SCN9A (0.38) | DPP4SCN9AFPR2LRRK2 | |
| SCHEMBL23884654 | 0.77 | TNIK (0.42) | TNIKCHEK2CLK1CSNK2A2CSNK2B | |
| SCHEMBL30251730 | 0.77 | TNIK (0.42) | TNIKCHEK2CLK1CSNK2A2CSNK2B | |
| SCHEMBL23906207 | 0.74 | SCN9A (0.40) | SCN9A | |
| SCHEMBL23906448 | 0.71 | DHODH (0.37) | DHODHCSNK2A2CSNK2BGRM2 | |
| SCHEMBL23884784 | 0.69 | MAPK1 (0.43) | TNIKCSNK2A2CSNK2B |
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 |