Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29270699 | 1.00 | GAA (0.40) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL26961952 | 0.91 | GAA (0.41) | GAANFKB1NFKB2RELAEPHX2 | |
| SCHEMBL20280033 | 0.89 | GAA (0.40) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL29796978 | 0.89 | GAA (0.40) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL29796833 | 0.89 | GAA (0.40) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL20280041 | 0.89 | GAA (0.40) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL31375565 | 0.85 | LMNA (0.54) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL20279961 | 0.85 | LMNA (0.54) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL29797040 | 0.85 | GAA (0.37) | GAANFKB1NFKB2RELALMNA | |
| SCHEMBL29270790 | 0.82 | GAA (0.38) | GAANFKB1NFKB2RELAEPHX2 |
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 |