Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.32 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.32 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.30 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887789 | 0.84 | HDAC1 (0.35) | HDAC1HDAC2ESR1PRKAA2PRKAB2 | |
| SCHEMBL23896112 | 0.80 | ESR1 (0.34) | HDAC1HDAC2ESR1PRKAA2 | |
| SCHEMBL23896107 | 0.79 | PDE10A (0.36) | HDAC1HDAC2ESR1 | |
| SCHEMBL23896110 | 0.79 | EGLN2 (0.36) | HDAC1HDAC2ESR1PRKAA2 | |
| SCHEMBL23895810 | 0.79 | PDE10A (0.36) | HDAC1HDAC2ESR1 | |
| SCHEMBL25562886 | 0.77 | NR1I2 (0.36) | HDAC1HDAC2ESR1PRKAA2 | |
| SCHEMBL23896399 | 0.77 | ESR1 (0.33) | HDAC1HDAC2ESR1PRKAA2MAP4K4 | |
| SCHEMBL25544781 | 0.77 | HDAC1 (0.33) | HDAC1HDAC2ESR1ABL1 | |
| SCHEMBL23896102 | 0.77 | NR1I2 (0.36) | HDAC1HDAC2ESR1PRKAA2 | |
| SCHEMBL23896402 | 0.77 | NR1I2 (0.36) | HDAC1HDAC2ESR1PRKAA2 |
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-2021203028-A1 | 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |