Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 3/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23887701 | 1.00 | TRPV1 (0.37) | TRPV1KDM4EMAPTALOX15ALDH1A1 | |
| SCHEMBL25544331 | 0.84 | ALDH1A1 (0.39) | KDM4EMAPTALDH1A1KMT2A | |
| SCHEMBL23887808 | 0.79 | MPO (0.47) | KDM4EMAPTALDH1A1GAAHPGD | |
| SCHEMBL7125134 | 0.77 | MAOA (0.53) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL23896383 | 0.77 | ESR1 (0.55) | KDM4EMAPTALDH1A1GAAESR1 | |
| SCHEMBL30121085 | 0.77 | ESR1 (0.55) | KDM4EMAPTALDH1A1GAAESR1 | |
| SCHEMBL23887859 | 0.75 | KDM4E (0.42) | KDM4EMAPTESR1ESR2 | |
| SCHEMBL30121046 | 0.75 | KDM4E (0.42) | KDM4EMAPTESR1ESR2 | |
| SCHEMBL30367341 | 0.74 | MPO (0.34) | KDM4EMAPTALDH1A1GAAHPGD | |
| SCHEMBL28974954 | 0.74 | MPO (0.34) | KDM4EMAPTALDH1A1GAAHPGD |
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 |