Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961829 | 0.93 | XIAP (0.32) | — | |
| SCHEMBL26961949 | 0.90 | GRM2 (0.32) | GRM2KCNN4GCGR | |
| SCHEMBL26961664 | 0.86 | GCGR (0.35) | GRM2KCNN4GCGR | |
| SCHEMBL26962135 | 0.84 | ABHD6 (0.33) | — | |
| SCHEMBL26961880 | 0.84 | KCNN4 (0.33) | GRM2KCNN4GCGR | |
| SCHEMBL26961939 | 0.83 | NPY1R (0.30) | — | |
| SCHEMBL26961600 | 0.83 | P2RX3 (0.31) | — | |
| SCHEMBL26961787 | 0.82 | XIAP (0.32) | — | |
| SCHEMBL26961790 | 0.81 | KCNH2 (0.34) | — | |
| SCHEMBL26961640 | 0.80 | NPY1R (0.35) | — |
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-4291558-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2023-12-20 | — | — | EP | disclosed |