Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | 0.83 | MAPT (0.43) | POLBTSHRALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL248648 | 0.82 | NPC1 (0.38) | P2RX7OPRM1OPRL1POLBSMN1; SMN2 | |
| SCHEMBL249977 | 0.81 | SMN1; SMN2 (0.46) | THRBRXFP1P2RX7CYP3A4CYP2C9 | |
| SCHEMBL250480 | 0.77 | EPHX2 (0.44) | P2RX7OPRM1OPRL1POLBALDH1A1 | |
| SCHEMBL250561 | 0.77 | HDAC3 (0.39) | OPRM1OPRL1POLBTSHRSMN1; SMN2 | |
| SCHEMBL251283 | 0.76 | OPRM1 (0.44) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL4074080 | 0.76 | OPRM1 (0.51) | OPRM1OPRL1 | |
| SCHEMBL249994 | 0.76 | NPC1 (0.45) | OPRM1OPRL1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL250033 | 0.76 | OPRL1 (0.42) | OPRM1OPRL1MAPT | |
| SCHEMBL250105 | 0.76 | ALDH1A1 (0.40) | OPRM1OPRL1POLBALDH1A1MAPT |
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 |