Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30252012 | 0.86 | SCN9A (0.39) | NAMPTGRIA1CYP2C9ROCK2CYP1A2 | |
| SCHEMBL23884427 | 0.86 | SCN9A (0.39) | NAMPTGRIA1CYP2C9ROCK2CYP1A2 | |
| SCHEMBL30251635 | 0.84 | NAMPT (0.36) | NAMPTGRIA1ROCK2CYP3A4TGFBR1 | |
| SCHEMBL23884659 | 0.84 | NAMPT (0.36) | NAMPTGRIA1ROCK2CYP3A4TGFBR1 | |
| SCHEMBL30251682 | 0.83 | NOTUM (0.40) | NAMPTGRIA1CYP1A2 | |
| SCHEMBL30251699 | 0.83 | NOTUM (0.40) | NAMPTGRIA1CYP1A2 | |
| SCHEMBL23884643 | 0.83 | NOTUM (0.40) | NAMPTGRIA1CYP1A2 | |
| SCHEMBL23884724 | 0.83 | NOTUM (0.40) | NAMPTGRIA1CYP1A2 | |
| SCHEMBL23906194 | 0.83 | NOTUM (0.40) | NAMPTGRIA1CYP1A2 | |
| SCHEMBL23884795 | 0.82 | NAMPT (0.37) | NAMPTGRIA1ROCK1 |
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 |