Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL249994 | 0.90 | NPC1 (0.45) | SMN1; SMN2NPC1MAPTKMT2ANOS2 | |
| SCHEMBL248648 | 0.88 | NPC1 (0.38) | SMN1; SMN2NPC1RAB9AKMT2AP2RX7 | |
| SCHEMBL248430 | 0.81 | THRB (0.37) | SMN1; SMN2THRBMAPTALDH1A1KMT2A | |
| SCHEMBL250561 | 0.79 | HDAC3 (0.39) | SMN1; SMN2KMT2A | |
| SCHEMBL250033 | 0.78 | OPRL1 (0.42) | NPC1RAB9AMAPT | |
| SCHEMBL207133 | 0.78 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9ATHRBMAPT | |
| SCHEMBL249993 | 0.77 | NPC1 (0.43) | NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL251283 | 0.77 | OPRM1 (0.44) | NPC1RAB9AALDH1A1HPGDEPHX2 | |
| SCHEMBL4074080 | 0.77 | OPRM1 (0.51) | NPC1RAB9AEPHX2 | |
| SCHEMBL251293 | 0.76 | ENPP2 (0.42) | SMN1; SMN2NPC1RAB9ATP53MAPT |
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 |