Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 19/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 18/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21337558 | 0.84 | SIGMAR1 (0.73) | SIGMAR1OPRM1KCNH2HSD11B1 | |
| SCHEMBL18426796 | 0.84 | SIGMAR1 (0.89) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18458556 | 0.81 | SIGMAR1 (0.71) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18425567 | 0.77 | SIGMAR1 (1.00) | SIGMAR1OPRM1KCNH2HSD11B1 | |
| SCHEMBL21337397 | 0.75 | SIGMAR1 (0.50) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18458966 | 0.75 | HSD11B1 (0.51) | SIGMAR1OPRM1KCNH2HSD11B1 | |
| SCHEMBL20621716 | 0.74 | SIGMAR1 (0.48) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18458027 | 0.74 | SIGMAR1 (0.79) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18458533 | 0.74 | SIGMAR1 (0.88) | SIGMAR1OPRM1KCNH2 | |
| SCHEMBL18458023 | 0.73 | OPRM1 (0.68) | 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-2017016669-A1 | SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-02-02 | — | — | WO | disclosed |