Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.39 |
| ▸ | PRNP | P04156 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23896383 | 1.00 | ESR1 (0.55) | ESR1ESR2GAAMAPTNPSR1 | |
| SCHEMBL23887859 | 0.86 | KDM4E (0.42) | ESR1ESR2MAPTKDM4E | |
| SCHEMBL30121046 | 0.86 | KDM4E (0.42) | ESR1ESR2MAPTKDM4E | |
| SCHEMBL23887749 | 0.82 | TLR8 (0.38) | ESR1ESR2 | |
| SCHEMBL23887701 | 0.77 | TRPV1 (0.37) | ESR1ESR2GAAMAPTERAP1 | |
| SCHEMBL30120959 | 0.77 | TRPV1 (0.37) | ESR1ESR2GAAMAPTERAP1 | |
| SCHEMBL23887706 | 0.72 | ESR1 (0.39) | ESR1ESR2MAPTKDM4E | |
| SCHEMBL30367719 | 0.72 | ESR1 (0.39) | ESR1ESR2MAPTKDM4E | |
| SCHEMBL7127697 | 0.69 | GPR3 (0.50) | GAAMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL23887908 | 0.69 | MAPK14 (0.44) | MAPTNPSR1SMN1; SMN2ALDH1A1KDM4E |
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 |