Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL249645 | 0.90 | LMNA (0.43) | NPC1RAB9AOPRL1OPRM1ALDH1A1 | |
| SCHEMBL250636 | 0.78 | LTA4H (0.52) | NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL249977 | 0.77 | SMN1; SMN2 (0.46) | NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL249994 | 0.77 | NPC1 (0.45) | NPC1OPRL1OPRM1KMT2ABCHE | |
| SCHEMBL251283 | 0.77 | OPRM1 (0.44) | NPC1RAB9AOPRL1OPRM1ALDH1A1 | |
| SCHEMBL250033 | 0.77 | OPRL1 (0.42) | NPC1RAB9AOPRL1OPRM1 | |
| SCHEMBL4085419 | 0.77 | OPRM1 (0.45) | NPC1RAB9AOPRL1OPRM1ALDH1A1 | |
| SCHEMBL251309 | 0.76 | P2RX7 (0.38) | OPRL1OPRM1 | |
| SCHEMBL4074080 | 0.76 | OPRM1 (0.51) | NPC1RAB9AOPRL1OPRM1 | |
| SCHEMBL4076511 | 0.76 | OPRL1 (0.59) | OPRL1OPRM1 |
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 |