Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL206956 | 0.88 | DRD4 (0.43) | SIGMAR1MAPTSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL207144 | 0.88 | ADAMTS4 (0.47) | ADAMTS4MTNR1AMTNR1BADAMTS5GFER | |
| SCHEMBL207058 | 0.84 | SIGMAR1 (0.55) | SIGMAR1SMN1; SMN2KDM4EALDH1A1GAA | |
| SCHEMBL206937 | 0.83 | MTNR1B (0.49) | MTNR1BGFERSIGMAR1KDM4EALDH1A1 | |
| SCHEMBL205294 | 0.82 | AR (0.56) | ADAMTS5MAPTSMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL205791 | 0.82 | MAPT (0.52) | ADAMTS5MAPTTP53SMN1; SMN2KDM4E | |
| SCHEMBL205941 | 0.80 | MEN1 (0.42) | ADAMTS5MAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL206177 | 0.80 | ALDH1A1 (0.48) | KDM4EALDH1A1TSHRGAAKMT2A | |
| SCHEMBL209123 | 0.79 | GFER (0.54) | GFERMAPTSMN1; SMN2ALDH1A1GAA | |
| SCHEMBL206079 | 0.79 | OPRM1 (0.54) | SIGMAR1 |
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 |