Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5477680 | 0.93 | OPRM1 (0.41) | OPRM1OPRL1MAPK1PARP1PARP2 | |
| SCHEMBL206098 | 0.87 | MAPK1 (0.41) | OPRM1OPRL1MAPK1PARP1PARP2 | |
| SCHEMBL206926 | 0.79 | CYP3A4 (0.43) | OPRM1OPRL1ALDH1A1MEN1KMT2A | |
| SCHEMBL207611 | 0.77 | OPRM1 (0.60) | OPRM1OPRL1ALDH1A1MEN1KMT2A | |
| SCHEMBL206892 | 0.72 | ALDH1A1 (0.48) | OPRM1OPRL1MAPTALDH1A1KDM4E | |
| SCHEMBL4074077 | 0.70 | OPRM1 (0.51) | OPRM1OPRL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4074080 | 0.69 | OPRM1 (0.51) | OPRM1OPRL1NPC1RAB9AEPHX2 | |
| SCHEMBL206590 | 0.69 | MEN1 (0.47) | OPRM1OPRL1MAPTALDH1A1KDM4E | |
| SCHEMBL4046091 | 0.67 | ACKR3 (0.50) | OPRM1OPRL1ALDH1A1MEN1KMT2A | |
| SCHEMBL4079677 | 0.67 | OPRM1 (0.47) | OPRM1OPRL1NPC1RAB9AEPHX2 |
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 |