Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL25488576 | 0.91 | DRD1 (0.35) | MKNK1DRD1FGFR2FGFR1TRPA1 | |
| SCHEMBL25475040 | 0.87 | NPC1 (0.39) | MKNK1DRD1KDM4ENPC1LMNA | |
| SCHEMBL30252031 | 0.81 | RXRA (0.43) | NPC1RAB9AMAPK1 | |
| SCHEMBL23884399 | 0.81 | RXRA (0.43) | NPC1RAB9AMAPK1 | |
| SCHEMBL23906136 | 0.81 | MIF (0.36) | DRD1NPC1RAB9AROCK1MAPK1 | |
| SCHEMBL30251795 | 0.80 | MKNK1 (0.37) | MKNK1MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23884496 | 0.80 | MKNK1 (0.37) | MKNK1MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23905576 | 0.77 | CHEK2 (0.37) | MKNK1FGFR2MAOBNPC1LMNA | |
| SCHEMBL23905579 | 0.77 | FGFR2 (0.35) | MKNK1FGFR2FGFR1NPC1RAB9A | |
| SCHEMBL23884493 | 0.77 | STK17A (0.43) | MKNK1FGFR2FGFR1ROCK1MAPT |
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 |