Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL250105 | 0.86 | ALDH1A1 (0.40) | MAPTENPP2MEN1KMT2AALDH1A1 | |
| SCHEMBL251293 | 0.86 | ENPP2 (0.42) | MAPTNPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL248430 | 0.83 | THRB (0.37) | MAPTSMN1; SMN2TSHRMEN1KMT2A | |
| SCHEMBL250636 | 0.82 | LTA4H (0.52) | MAPTNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL4084421 | 0.79 | OPRM1 (0.45) | MAPTNPC1NFKB1RAB9ANFKB2 | |
| SCHEMBL250480 | 0.77 | EPHX2 (0.44) | NPC1SMN1; SMN2NPSR1GAAALDH1A1 | |
| SCHEMBL251283 | 0.77 | OPRM1 (0.44) | NPC1RAB9AGAAALDH1A1 | |
| SCHEMBL4074080 | 0.77 | OPRM1 (0.51) | NPC1RAB9A | |
| SCHEMBL250033 | 0.77 | OPRL1 (0.42) | MAPTNPC1RAB9AGAA | |
| SCHEMBL4080945 | 0.75 | TSHR (0.64) | MAPTNPC1NFKB1RAB9ANFKB2 |
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 |