Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13150517 | 0.92 | CHRNB2 (0.44) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL13163063 | 0.87 | CHRNB2 (0.41) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL6623312 | 0.87 | CHRNB2 (0.67) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL10139547 | 0.81 | CHRNB2 (0.50) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL12206738 | 0.81 | CHRNB2 (0.38) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL26294765 | 0.81 | CHRNB2 (0.38) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL18374888 | 0.80 | HDAC2 (0.40) | CHRNB2CHRNA4HSD11B1HDAC2CHRNA3 | |
| SCHEMBL1979172 | 0.80 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB3 | |
| SCHEMBL1711398 | 0.79 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL1711178 | 0.79 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | claimed |
| 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 |