Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL251283 | 0.78 | OPRM1 (0.44) | EPHX2GAAALDH1A1OPRM1OPRL1 | |
| SCHEMBL4074080 | 0.77 | OPRM1 (0.51) | EPHX2OPRM1OPRL1NPC1 | |
| SCHEMBL249885 | 0.77 | MAPT (0.43) | GAAALDH1A1NPSR1POLBNPC1 | |
| SCHEMBL250033 | 0.77 | OPRL1 (0.42) | GAAOPRM1OPRL1NPC1 | |
| SCHEMBL248430 | 0.77 | THRB (0.37) | LMNAALDH1A1POLBOPRM1OPRL1 | |
| SCHEMBL4075793 | 0.75 | EPHX2 (0.72) | EPHX2GAALMNAALDH1A1NPSR1 | |
| SCHEMBL251293 | 0.75 | ENPP2 (0.42) | GAAALDH1A1POLBNPC1SMN1; SMN2 | |
| SCHEMBL250561 | 0.75 | HDAC3 (0.39) | LMNAPOLBOPRM1OPRL1SMN1; SMN2 | |
| (+)-Tranylcypromine SCHEMBL250154 | 0.74 | OPRM1 (0.45) | EPHX2OPRM1OPRL1 | |
| SCHEMBL4074077 | 0.74 | OPRM1 (0.51) | EPHX2OPRM1OPRL1NPC1SMN1; 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 |