Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.66 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.66 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL9704626 | 0.96 | SIGMAR1 (0.71) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL7963090 | 0.90 | SIGMAR1 (0.61) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL9772450 | 0.90 | SIGMAR1 (0.61) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL9493300 | 0.83 | OPRK1 (0.93) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL14367943 | 0.83 | OPRK1 (0.93) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL9494152 | 0.83 | SIGMAR1 (0.62) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL9702827 | 0.81 | SIGMAR1 (0.68) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL9702706 | 0.81 | SIGMAR1 (0.68) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 | |
| SCHEMBL9493476 | 0.81 | SIGMAR1 (0.67) | SIGMAR1OPRM1OPRK1OPRD1 | |
| SCHEMBL9748062 | 0.79 | OPRK1 (1.00) | SIGMAR1OPRM1OPRK1OPRD1CYP1A2 |
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 3 patents. 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 |
| US-5130329-A | Amino, amide substituted compounds | ROUSSEL UCLAF (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5068244-A | Benzcarbocyclic amides with nitro groups | ROUSSEL UCLAF (FR) | 1991-11-26 | — | — | US | disclosed |