Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | ASPH | Q12797 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22509078 | 0.81 | TEK (0.36) | AR | |
| SCHEMBL27743601 | 0.77 | ERN1 (0.37) | ERN1KIF11ASPH | |
| SCHEMBL29728357 | 0.75 | KDR (0.42) | AR | |
| SCHEMBL23140058 | 0.75 | AAK1 (0.40) | — | |
| SCHEMBL16611723 | 0.75 | KDR (0.42) | AR | |
| SCHEMBL3783458 | 0.75 | KCNQ3 (0.37) | ERN1KIF11ASPH | |
| SCHEMBL2439088 | 0.75 | ALOX5AP (0.39) | ERN1 | |
| SCHEMBL30445332 | 0.75 | KCNQ3 (0.37) | ERN1KIF11ASPH | |
| SCHEMBL4649615 | 0.71 | CNR2 (0.53) | — | |
| SCHEMBL3779382 | 0.71 | MAPT (0.45) | ERN1 |
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 |