Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL249885 | 0.86 | MAPT (0.43) | ALDH1A1MAPTMEN1KMT2AENPP2 | |
| SCHEMBL251293 | 0.82 | ENPP2 (0.42) | ALDH1A1MAPTENPP2POLBTP53 | |
| SCHEMBL250636 | 0.82 | LTA4H (0.52) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL4075171 | 0.77 | ALDH1A1 (0.62) | ALDH1A1AKR1C3AKR1C1MAPTMEN1 | |
| SCHEMBL4084421 | 0.77 | OPRM1 (0.45) | ALDH1A1MAPTOPRM1OPRL1MCHR1 | |
| SCHEMBL248430 | 0.76 | THRB (0.37) | ALDH1A1MAPTMEN1KMT2AOPRM1 | |
| SCHEMBL251283 | 0.75 | OPRM1 (0.44) | ALDH1A1OPRM1OPRL1 | |
| SCHEMBL4074080 | 0.75 | OPRM1 (0.51) | OPRM1OPRL1 | |
| SCHEMBL250033 | 0.75 | OPRL1 (0.42) | MAPTOPRM1OPRL1 | |
| SCHEMBL250470 | 0.75 | OPRM1 (0.46) | KMT2AOPRM1OPRL1ICMTALB |
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 |