Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | SLC9A3 | P48764 | 3/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL9643933 | 0.92 | SIGMAR1 (0.54) | SIGMAR1OPRM1OPRD1OPRK1SLC9A3 | |
| 1,2-Dichlorobenzene SCHEMBL9643364 | 0.91 | SIGMAR1 (0.53) | SIGMAR1OPRM1OPRD1OPRK1SLC9A3 | |
| 1,2-Dichlorobenzene SCHEMBL9510519 | 0.85 | MCOLN2 (0.46) | SLC18A3 | |
| SCHEMBL9772359 | 0.81 | OPRK1 (0.72) | SIGMAR1OPRM1OPRD1OPRK1CYP2D6 | |
| SCHEMBL7962319 | 0.81 | OPRK1 (0.72) | SIGMAR1OPRM1OPRD1OPRK1CYP2D6 | |
| 1,2-Dichlorobenzene SCHEMBL9644127 | 0.81 | SIGMAR1 (0.48) | SIGMAR1OPRM1OPRD1OPRK1CYP2D6 | |
| 1,2-Dichlorobenzene SCHEMBL9643149 | 0.80 | SIGMAR1 (0.59) | SIGMAR1OPRM1OPRD1OPRK1SLC9A3 | |
| 1,2-Dichlorobenzene SCHEMBL7965897 | 0.78 | HTR2A (0.44) | SIGMAR1OPRM1OPRD1OPRK1 | |
| Trifluoromethylbenzene SCHEMBL9643058 | 0.76 | SLC9A3 (0.44) | SIGMAR1OPRM1OPRD1OPRK1SLC9A3 | |
| SCHEMBL7963090 | 0.76 | SIGMAR1 (0.61) | SIGMAR1OPRM1OPRD1OPRK1SLC9A3 |
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-0258096-B1 | INDANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE INTERMEDIATES OBTAINED | ROUSSEL-UCLAF (FR) | 1992-09-09 | — | — | EP | disclosed |