Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 17/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 12/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17317227 | 0.82 | SIGMAR1 (0.45) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL17317160 | 0.81 | SIGMAR1 (0.43) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL20555604 | 0.80 | SIGMAR1 (0.56) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL17324904 | 0.73 | OPRM1 (0.51) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL19518142 | 0.73 | OPRM1 (0.51) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL20555587 | 0.69 | SIGMAR1 (0.53) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL12492762 | 0.69 | OPRM1 (0.34) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL19518229 | 0.69 | OPRM1 (0.37) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL20504475 | 0.68 | SIGMAR1 (0.59) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL17317132 | 0.68 | OPRM1 (0.42) | SIGMAR1OPRM1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020157026-A1 | HYDROXYLATED DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-08-06 | — | — | WO | disclosed |