Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493953 | 0.93 | CHRNA7 (0.50) | CHRNA7IDO1OPRM1OPRK1SIGMAR1 | |
| SCHEMBL27014167 | 0.86 | ACHE (0.41) | CHRNA7HSD11B1HTR1AIDO1 | |
| SCHEMBL7620120 | 0.85 | SLC18A3 (0.45) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL7620129 | 0.85 | SLC18A3 (0.45) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL7623817 | 0.85 | SLC18A3 (0.45) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL7620113 | 0.85 | SLC18A3 (0.45) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL7623805 | 0.85 | SLC18A3 (0.45) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL27203809 | 0.83 | SLC9A3 (0.49) | CHRNA7OPRM1OPRK1 | |
| SCHEMBL27014175 | 0.77 | SIGMAR1 (0.39) | HSD11B1HTR1AIDO1SIGMAR1 | |
| SCHEMBL4863623 | 0.76 | PDPK1 (0.54) | CHRNA7HTR1APDPK1OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0329563-B1 | BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-21 | — | — | EP | disclosed |