Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL206152 | 0.88 | POLB (0.37) | ALDH1A1LMNAPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL206115 | 0.87 | NPC1 (0.38) | ALDH1A1LMNAPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL207964 | 0.86 | ALDH1A1 (0.40) | ALDH1A1LMNAPRKAA2PRKAB2PRKAG1 | |
| SCHEMBL205294 | 0.81 | AR (0.56) | ALDH1A1LMNAOPRM1OPRL1MEN1 | |
| SCHEMBL206177 | 0.80 | ALDH1A1 (0.48) | ALDH1A1OPRM1OPRL1KMT2AEPHX2 | |
| SCHEMBL206079 | 0.80 | OPRM1 (0.54) | OPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL205791 | 0.79 | MAPT (0.52) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL4072325 | 0.78 | OPRM1 (0.52) | LMNAOPRM1OPRL1EPHX2EPHX1 | |
| SCHEMBL207983 | 0.78 | SIGMAR1 (0.50) | ALDH1A1MEN1KMT2A | |
| SCHEMBL206125 | 0.76 | ADAMTS4 (0.47) | ALDH1A1HTTMEN1KMT2A |
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 |