Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 7/20 | 0.35 |
| ▸ | GIPR | P48546 | 5/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961640 | 0.94 | NPY1R (0.35) | HDAC6NPY1R | |
| SCHEMBL26962398 | 0.92 | HDAC6 (0.36) | HDAC6NPY1R | |
| SCHEMBL26961619 | 0.89 | NPY1R (0.32) | HDAC6NPY1R | |
| SCHEMBL26961880 | 0.88 | KCNN4 (0.33) | GCGRGIPRGRM2KCNN4NPY1R | |
| SCHEMBL26961949 | 0.86 | GRM2 (0.32) | GCGRGIPRGRM2KCNN4NPY1R | |
| SCHEMBL26961950 | 0.86 | GRM2 (0.32) | GCGRGRM2KCNN4 | |
| SCHEMBL26962177 | 0.85 | SRC (0.38) | GCGRGIPRHDAC6GRM2KCNN4 | |
| SCHEMBL29796984 | 0.85 | SRC (0.38) | GCGRGIPRHDAC6GRM2KCNN4 | |
| SCHEMBL26961717 | 0.85 | HDAC6 (0.34) | HDAC6KCNN4NPY1RCACNA1H | |
| SCHEMBL26961837 | 0.85 | GRM2 (0.38) | GCGRGIPRGRM2CHRM5 |
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 |