Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL207058 | 0.92 | SIGMAR1 (0.55) | SIGMAR1TDP1KDM4EALDH1A1GAA | |
| SCHEMBL206125 | 0.83 | ADAMTS4 (0.47) | MTNR1BSIGMAR1KDM4EALDH1A1GAA | |
| SCHEMBL206956 | 0.83 | DRD4 (0.43) | SIGMAR1ALDH1A1GAA | |
| SCHEMBL207983 | 0.80 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1 | |
| SCHEMBL4082831 | 0.78 | MTNR1B (0.67) | MTNR1BTDP1KDM4EALDH1A1GAA | |
| SCHEMBL206177 | 0.76 | ALDH1A1 (0.48) | KDM4EALDH1A1GAA | |
| SCHEMBL205663 | 0.76 | MEN1 (0.49) | SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL206079 | 0.76 | OPRM1 (0.54) | SIGMAR1 | |
| SCHEMBL205294 | 0.76 | AR (0.56) | ALDH1A1 | |
| SCHEMBL4072326 | 0.75 | SIGMAR1 (0.49) | SIGMAR1HTR1A |
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 2 patents. 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 | claimed |
| 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 |