Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPSE | Q9Y251 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 5/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 2/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL23906114 | 0.88 | HPSE (0.36) | HPSECCNT1CDK9RELAROCK2 | |
| SCHEMBL23884634 | 0.80 | ROCK2 (0.39) | HPSEROCK2ROCK1HSP90AA1 | |
| SCHEMBL23906339 | 0.78 | PTGFR (0.38) | DHODHCHEK2CSNK2A2 | |
| SCHEMBL23905592 | 0.76 | ROCK2 (0.38) | HPSEROCK2ROCK1HSP90AA1 | |
| SCHEMBL23906083 | 0.74 | DHODH (0.41) | DHODHCSNK2A2 | |
| SCHEMBL23884844 | 0.74 | ROCK2 (0.39) | ROCK2ROCK1CSNK2A2 | |
| SCHEMBL30251761 | 0.74 | ROCK2 (0.39) | ROCK2ROCK1CSNK2A2 | |
| SCHEMBL23906133 | 0.70 | RXRA (0.43) | SCN9ADHODHCHEK2FEN1 | |
| SCHEMBL23905555 | 0.69 | TNIK (0.42) | SCN9ADHODHCHEK2CSNK2A2 | |
| SCHEMBL28788985 | 0.67 | CA12 (0.57) | CCNT1CDK9ROCK2ROCK1 |
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 |