Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL19979167 | 0.78 | SIGMAR1 (0.39) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL16892310 | 0.74 | SIGMAR1 (0.32) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL20661768 | 0.74 | SIGMAR1 (0.32) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL15479677 | 0.74 | SIGMAR1 (0.32) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL12286123 | 0.68 | SIGMAR1 (0.33) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL14725544 | 0.68 | CYP11B2 (0.38) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL4624876 | 0.66 | — | — | |
| SCHEMBL16258601 | 0.63 | SIGMAR1 (0.39) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL30825565 | 0.63 | SIGMAR1 (0.35) | SIGMAR1CHRNB2CHRNA4 | |
| SCHEMBL1950016 | 0.63 | SIGMAR1 (0.43) | SIGMAR1CHRNB2CHRNA4 |
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-103958478-B | Bicyclic dihydroisoquinolin-1-one derivatives | 霍夫曼-拉罗奇有限公司 | 2017-08-01 | — | — | CN | disclosed |