Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 9/20 | 0.41 |
| ▸ | ESR1 | P03372 | 8/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | SULT1A1 | P50225 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887859 | 1.00 | KDM4E (0.42) | KDM4EMAPTGCGRESR1ESR2 | |
| SCHEMBL23896383 | 0.86 | ESR1 (0.55) | KDM4EMAPTESR1ESR2 | |
| SCHEMBL30121085 | 0.86 | ESR1 (0.55) | KDM4EMAPTESR1ESR2 | |
| SCHEMBL23887706 | 0.86 | ESR1 (0.39) | KDM4EMAPTGCGRESR1ESR2 | |
| SCHEMBL30367719 | 0.86 | ESR1 (0.39) | KDM4EMAPTGCGRESR1ESR2 | |
| SCHEMBL23887908 | 0.82 | MAPK14 (0.44) | KDM4EMAPTGCGRAPPGRM2 | |
| SCHEMBL23887749 | 0.80 | TLR8 (0.38) | ESR1ESR2 | |
| SCHEMBL23896209 | 0.78 | SCN9A (0.39) | ESR1ESR2 | |
| SCHEMBL23896210 | 0.78 | SCN9A (0.39) | ESR1ESR2 | |
| SCHEMBL23896168 | 0.78 | DPP4 (0.39) | KDM4EMAPTGCGRESR1ESR2 |
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 |