Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4072325 | 0.90 | OPRM1 (0.52) | OPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL206079 | 0.87 | OPRM1 (0.54) | OPRM1OPRL1EPHX2EPHX1 | |
| Phenethylamine SCHEMBL206732 | 0.85 | EPHX2 (0.50) | OPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL209001 | 0.82 | OPRM1 (0.43) | OPRM1OPRL1EPHX2EPHX1SMN1; SMN2 | |
| SCHEMBL2985381 | 0.81 | OPRM1 (0.48) | OPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL207196 | 0.81 | OPRM1 (0.46) | OPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL206731 | 0.80 | HDAC3 (0.51) | OPRM1OPRL1EPHX2EPHX1SMN1; SMN2 | |
| SCHEMBL250049 | 0.79 | OPRM1 (0.42) | OPRM1OPRL1EPHX2EPHX1SMN1; SMN2 | |
| SCHEMBL2987110 | 0.79 | MEN1 (0.51) | OPRM1OPRL1EPHX2EPHX1SMN1; SMN2 | |
| SCHEMBL209000 | 0.77 | GAA (0.47) | OPRM1OPRL1EPHX2EPHX1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-8088763-B2 | e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases | GRUENENTHAL GMBH (DE) | 2012-01-03 | — | — | US | disclosed |