Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 6/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23887788 | 1.00 | NPC1 (0.34) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25192641 | 0.89 | MAOB (0.38) | NPC1RAB9AMAOBHRH3MAOA | |
| SCHEMBL23888028 | 0.83 | TLR8 (0.39) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25544932 | 0.83 | MAPK14 (0.36) | — | |
| SCHEMBL25194182 | 0.80 | FFAR1 (0.40) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25188580 | 0.80 | MAOB (0.37) | NPC1RAB9AMAOBTDP1HRH3 | |
| SCHEMBL23887863 | 0.78 | MEN1 (0.38) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25188617 | 0.78 | NPC1 (0.39) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25196127 | 0.75 | MEN1 (0.37) | NPC1RAB9AMEN1KMT2AMAOB | |
| SCHEMBL25544751 | 0.73 | MAPK14 (0.36) | LMNA |
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 |