Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL205784 | 0.90 | MEN1 (0.49) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL207488 | 0.88 | MEN1 (0.47) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL5158031 | 0.85 | KMT2A (0.52) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL206079 | 0.83 | OPRM1 (0.54) | OPRM1OPRL1EPHX2 | |
| SCHEMBL5158048 | 0.81 | NAMPT (0.38) | MEN1KMT2AALDH1A1MAPTNAMPT | |
| SCHEMBL205169 | 0.81 | SIGMAR1 (0.41) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL4072325 | 0.81 | OPRM1 (0.52) | TSHROPRM1OPRL1LMNAEPHX2 | |
| SCHEMBL206177 | 0.80 | ALDH1A1 (0.48) | KMT2AALDH1A1KDM4ETSHRHSD17B10 | |
| SCHEMBL5158010 | 0.79 | OPRM1 (0.40) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL205294 | 0.79 | AR (0.56) | MEN1KMT2AALDH1A1MAPTTSHR |
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 |