Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31058636 | 0.81 | ESR2 (0.42) | ESR1ESR2OPRD1 | |
| SCHEMBL24534130 | 0.77 | ALDH1A1 (0.37) | ESR1ESR2OPRD1 | |
| SCHEMBL30042841 | 0.76 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL23540686 | 0.76 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL23540714 | 0.74 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL30015180 | 0.74 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL29112221 | 0.70 | ESR1 (0.46) | ESR1ESR2 | |
| SCHEMBL15542419 | 0.70 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL31226463 | 0.69 | AKT1 (0.40) | — | |
| SCHEMBL15542113 | 0.68 | ESR1 (0.41) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |