Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 19/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL20288012 | 0.94 | OPRM1 (0.64) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20288027 | 0.86 | OPRM1 (0.59) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20287976 | 0.86 | OPRM1 (0.59) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20288021 | 0.85 | SIGMAR1 (0.60) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL21337241 | 0.84 | OPRM1 (0.68) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20288123 | 0.84 | OPRM1 (0.60) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20598864 | 0.80 | OPRM1 (0.89) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL21337275 | 0.78 | OPRM1 (0.60) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20599137 | 0.78 | OPRM1 (0.92) | OPRM1SIGMAR1KCNH2 | |
| SCHEMBL20599217 | 0.78 | OPRM1 (1.00) | OPRM1SIGMAR1KCNH2 |
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-2018108319-A1 | TETRAHYDROPYRAN AND TETRAHYDROTHIOPYRAN AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2018-06-21 | — | — | WO | disclosed |