Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 7/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | FPR2 | P25090 | 4/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
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 | 0.87 | DHODH (0.41) | DHODH | |
| SCHEMBL23906339 | 0.82 | PTGFR (0.38) | NR4A2CHEK2DPP4DHODH | |
| SCHEMBL23906114 | 0.81 | HPSE (0.36) | CHEK2DPP4DHODH | |
| SCHEMBL23905555 | 0.80 | TNIK (0.42) | CHEK2SCN9ADPP4FPR2DHODH | |
| SCHEMBL30252031 | 0.79 | RXRA (0.43) | RXRANR4A2CHEK2SCN9APTGER4 | |
| SCHEMBL23884399 | 0.79 | RXRA (0.43) | RXRANR4A2CHEK2SCN9APTGER4 | |
| SCHEMBL23906123 | 0.78 | SCN9A (0.38) | SCN9ADPP4FPR2 | |
| SCHEMBL23905518 | 0.75 | CHEK2 (0.38) | CHEK2SCN9APTGER4FPR2DHODH | |
| SCHEMBL23906207 | 0.73 | SCN9A (0.40) | SCN9A | |
| SCHEMBL23906448 | 0.71 | DHODH (0.37) | DHODH |
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 |