Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 1/20 | 0.32 |
| ▸ | GIPR | P48546 | 1/20 | 0.32 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL26961825 | 1.00 | SRC (0.36) | SRCGRM2CHRM5PLATGCGR | |
| SCHEMBL29796777 | 0.93 | SRC (0.35) | SRCGRM2 | |
| SCHEMBL26961736 | 0.93 | SRC (0.35) | SRCGRM2 | |
| SCHEMBL26961878 | 0.92 | POLB (0.35) | SRCNPY1RXIAP | |
| SCHEMBL29796826 | 0.92 | POLB (0.35) | SRCNPY1RXIAP | |
| SCHEMBL26961887 | 0.90 | SRC (0.39) | SRCGRM2NPY1RCACNA1H | |
| SCHEMBL29796737 | 0.90 | SRC (0.39) | SRCGRM2NPY1RCACNA1H | |
| SCHEMBL26962177 | 0.89 | SRC (0.38) | SRCGRM2CHRM5GCGRGIPR | |
| SCHEMBL29796984 | 0.89 | SRC (0.38) | SRCGRM2CHRM5GCGRGIPR | |
| SCHEMBL30767410 | 0.86 | GRM2 (0.34) | GRM2CHRM5PLATGCGRGIPR |
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 2 patents. 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 |
| WO-2022171745-A1 | BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2022-08-18 | — | — | WO | disclosed |