Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.69 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.69 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.69 |
| ▸ | CCR5 | P51681 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493831 | 1.00 | SIGMAR1 (0.69) | SIGMAR1OPRK1OPRM1OPRD1CCR5 | |
| SCHEMBL7966344 | 0.90 | SIGMAR1 (0.64) | SIGMAR1OPRK1OPRM1OPRD1CCR5 | |
| SCHEMBL9644180 | 0.90 | SIGMAR1 (0.64) | SIGMAR1OPRK1OPRM1OPRD1CCR5 | |
| SCHEMBL10589759 | 0.88 | SIGMAR1 (0.76) | SIGMAR1OPRK1OPRM1OPRD1 | |
| Nitrobenzene SCHEMBL10589410 | 0.84 | SIGMAR1 (0.53) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL5629682 | 0.84 | SIGMAR1 (0.56) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL5629684 | 0.84 | SIGMAR1 (0.56) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL5629679 | 0.84 | SIGMAR1 (0.56) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL10588635 | 0.84 | SIGMAR1 (0.70) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL6479109 | 0.82 | SIGMAR1 (0.73) | SIGMAR1OPRK1OPRM1OPRD1SMN1; SMN2 |
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 | claimed |