Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 3/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL29796833 | 0.91 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26961952 | 0.88 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20263891 | 0.88 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20263999 | 0.88 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL27121024 | 0.88 | GAA (0.40) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25766630 | 0.86 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25761124 | 0.86 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29796701 | 0.84 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26961700 | 0.84 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL29797040 | 0.83 | GAA (0.37) | GAAEPHX2NFKB1NFKB2RELA |
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 |