Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 18/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887715 | 1.00 | BRD4 (0.40) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL23887836 | 0.81 | TOP1 (0.39) | BRD4KDM4EALDH1A1GAAHPGD | |
| SCHEMBL30367801 | 0.77 | KDM4E (0.37) | KDM4EALDH1A1GAAHPGD | |
| SCHEMBL23887792 | 0.77 | KDM4E (0.37) | KDM4EALDH1A1GAAHPGD | |
| SCHEMBL23896391 | 0.77 | TOP1 (0.39) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL25563868 | 0.76 | TOP1 (0.43) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL25544857 | 0.75 | TOP1 (0.36) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL23895853 | 0.75 | TOP1 (0.42) | BRD4SYK | |
| SCHEMBL25544820 | 0.75 | TRPV3 (0.37) | — | |
| SCHEMBL23887765 | 0.75 | ALDH1A1 (0.33) | KDM4EALDH1A1GLAGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |