Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL23887866 | 1.00 | S1PR3 (0.36) | S1PR3HRH3MEN1KMT2ANPC1 | |
| SCHEMBL23887854 | 0.90 | HRH3 (0.38) | S1PR3HRH3MEN1KMT2ANPC1 | |
| SCHEMBL23887843 | 0.88 | HRH3 (0.38) | S1PR3HRH3MEN1KMT2AMAPT | |
| SCHEMBL25557296 | 0.86 | HRH3 (0.38) | HRH3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL23887776 | 0.83 | FFAR1 (0.37) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL25544258 | 0.82 | GCGR (0.31) | — | |
| SCHEMBL23896099 | 0.82 | ALOX5 (0.38) | S1PR3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL23896020 | 0.80 | HSD17B10 (0.43) | MEN1KMT2ARAB9AMAPTKDR | |
| SCHEMBL25555406 | 0.79 | ALOX5 (0.43) | S1PR3MEN1KMT2ANPC1RAB9A | |
| SCHEMBL23887860 | 0.75 | PARP14 (0.36) | S1PR3EDNRBEDNRAFFAR1 |
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 |