Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26962100 | 1.00 | SRC (0.36) | SRCLMNATEAD1XIAPNPY1R | |
| SCHEMBL29796885 | 0.93 | SRC (0.38) | SRCLMNAXIAPNPY1RHCRTR1 | |
| SCHEMBL26961886 | 0.93 | SRC (0.38) | SRCLMNAXIAPNPY1RHCRTR1 | |
| SCHEMBL26961755 | 0.91 | POLB (0.37) | SRCXIAPNPY1RKDM4DAAK1 | |
| SCHEMBL26961693 | 0.90 | SRC (0.39) | SRCXIAPNPY1RKDM4DSCN9A | |
| SCHEMBL29796974 | 0.90 | SRC (0.39) | SRCXIAPNPY1RKDM4DSCN9A | |
| SCHEMBL26962351 | 0.90 | XIAP (0.43) | SRCXIAPNPY1RKDM4DSCN9A | |
| SCHEMBL29796966 | 0.89 | SRC (0.39) | SRCXIAPNPY1RKDM4DAAK1 | |
| SCHEMBL26961924 | 0.89 | SRC (0.39) | SRCXIAPNPY1RKDM4DAAK1 | |
| SCHEMBL26962093 | 0.88 | SRC (0.37) | SRCTEAD1XIAPNPY1RCHRM5 |
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 |