Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CX3CR1 | P49238 | 4/20 | 0.44 |
| ▸ | CCR2 | P41597 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 8/20 | 0.40 |
| ▸ | DRD4 | P21917 | 8/20 | 0.40 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4078294 | 0.81 | CCR2 (0.61) | CX3CR1CCR2SIGMAR1DRD2DRD4 | |
| SCHEMBL4072400 | 0.78 | CCR2 (0.61) | CX3CR1CCR2SIGMAR1ALDH1A1 | |
| SCHEMBL4074080 | 0.78 | OPRM1 (0.51) | SIGMAR1 | |
| SCHEMBL251283 | 0.77 | OPRM1 (0.44) | ALDH1A1 | |
| SCHEMBL250033 | 0.77 | OPRL1 (0.42) | — | |
| SCHEMBL249977 | 0.75 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL248648 | 0.75 | NPC1 (0.38) | SMN1; SMN2 | |
| SCHEMBL4074077 | 0.74 | OPRM1 (0.51) | SMN1; SMN2 | |
| SCHEMBL251239 | 0.74 | OPRM1 (0.44) | SIGMAR1ALDH1A1 | |
| SCHEMBL248430 | 0.73 | THRB (0.37) | ALDH1A1SMN1; 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 |