Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 13/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23896331 | 1.00 | GCGR (0.38) | GCGRMCL1CYP1A2GAACYP2C9 | |
| SCHEMBL23887748 | 1.00 | GCGR (0.38) | GCGRMCL1CYP1A2GAACYP2C9 | |
| SCHEMBL25265198 | 1.00 | GCGR (0.38) | GCGRMCL1CYP1A2GAACYP2C9 | |
| SCHEMBL25544420 | 0.89 | GCGR (0.40) | GCGRMCL1 | |
| SCHEMBL23896334 | 0.88 | GCGR (0.35) | GCGRESR1HMGCRCHRM1TBXA2R | |
| SCHEMBL25543950 | 0.85 | GCGR (0.36) | GCGR | |
| SCHEMBL25545407 | 0.85 | GCGR (0.36) | GCGR | |
| SCHEMBL23896337 | 0.85 | GCGR (0.36) | GCGR | |
| SCHEMBL25545423 | 0.84 | GCGR (0.43) | GCGR | |
| SCHEMBL23896335 | 0.82 | GCGR (0.38) | GCGRESR1HMGCRCHRM1TBXA2R |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4126819-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) | 2023-02-08 | — | — | EP | disclosed |
| CN-115697969-A | 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) | 弗特克斯药品有限公司 | 2023-02-03 | — | — | CN | disclosed |