Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL206079 | 0.83 | OPRM1 (0.54) | EPHX2EPHX1OPRM1OPRL1 | |
| SCHEMBL205294 | 0.83 | AR (0.56) | ALDH1A1TSHRKMT2AOPRM1OPRL1 | |
| SCHEMBL4072325 | 0.81 | OPRM1 (0.52) | EPHX2EPHX1TSHROPRM1OPRL1 | |
| SCHEMBL207983 | 0.81 | SIGMAR1 (0.50) | ALDH1A1KMT2A | |
| SCHEMBL205791 | 0.81 | MAPT (0.52) | ALDH1A1KDM4ETSHRKMT2AMAPK1 | |
| SCHEMBL206576 | 0.80 | ALDH1A1 (0.44) | ALDH1A1EPHX2EPHX1KMT2AOPRM1 | |
| SCHEMBL206125 | 0.80 | ADAMTS4 (0.47) | ALDH1A1KDM4ETSHRKMT2AGAA | |
| SCHEMBL206590 | 0.80 | MEN1 (0.47) | ALDH1A1KDM4EEPHX2TSHRKMT2A | |
| SCHEMBL206731 | 0.78 | HDAC3 (0.51) | EPHX2EPHX1TSHROPRM1OPRL1 | |
| SCHEMBL206956 | 0.78 | DRD4 (0.43) | ALDH1A1KMT2AGAA |
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 |