Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 3/20 | 0.37 |
| ▸ | PYGM | P11217 | 3/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270785 | 0.88 | GAA (0.43) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25766504 | 0.87 | GAA (0.43) | GAARIPK1EPHX2NFKB1NFKB2 | |
| SCHEMBL29270789 | 0.87 | GAA (0.43) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL30675690 | 0.87 | GAA (0.43) | GAARIPK1EPHX2NFKB1NFKB2 | |
| SCHEMBL3484898 | 0.85 | EPHX2 (0.49) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL3484895 | 0.85 | EPHX2 (0.49) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25759562 | 0.83 | GAA (0.42) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL25760377 | 0.83 | GAA (0.41) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL26962099 | 0.82 | GAA (0.44) | GAAEPHX2NFKB1NFKB2RELA | |
| SCHEMBL20263891 | 0.82 | GAA (0.40) | 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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |