Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL250442 | 0.86 | MEN1 (0.42) | LMNATSHRMEN1KMT2A | |
| SCHEMBL207653 | 0.86 | OPRM1 (0.43) | SMN1; SMN2OPRM1OPRL1POLBCTDSP1 | |
| SCHEMBL249994 | 0.84 | NPC1 (0.45) | LMNASMN1; SMN2MEN1KMT2AOPRM1 | |
| SCHEMBL251293 | 0.81 | ENPP2 (0.42) | SMN1; SMN2POLB | |
| SCHEMBL249977 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2KMT2A | |
| SCHEMBL251283 | 0.78 | OPRM1 (0.44) | OPRM1OPRL1 | |
| SCHEMBL4074080 | 0.77 | OPRM1 (0.51) | OPRM1OPRL1 | |
| SCHEMBL250033 | 0.77 | OPRL1 (0.42) | OPRM1OPRL1 | |
| SCHEMBL248430 | 0.77 | THRB (0.37) | LMNATSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL248648 | 0.77 | NPC1 (0.38) | LMNASMN1; SMN2KMT2AOPRM1OPRL1 |
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 |