Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL249977 | 0.88 | SMN1; SMN2 (0.46) | NPC1RAB9AHPGDP2RX7SMN1; SMN2 | |
| SCHEMBL248430 | 0.82 | THRB (0.37) | P2RX7LMNAPOLBHTTSMN1; SMN2 | |
| SCHEMBL249994 | 0.81 | NPC1 (0.45) | NPC1LMNAGAAHTTSMN1; SMN2 | |
| SCHEMBL250033 | 0.78 | OPRL1 (0.42) | NPC1RAB9AGAAOPRM1OPRL1 | |
| SCHEMBL250561 | 0.77 | HDAC3 (0.39) | LMNAPOLBSMN1; SMN2OPRM1OPRL1 | |
| SCHEMBL251283 | 0.76 | OPRM1 (0.44) | NPC1RAB9AHPGDGAAOPRM1 | |
| SCHEMBL4074080 | 0.76 | OPRM1 (0.51) | NPC1RAB9AOPRM1OPRL1EPHX2 | |
| SCHEMBL250442 | 0.75 | MEN1 (0.42) | RAB9ALMNAGAAKMT2A | |
| SCHEMBL4074083 | 0.75 | SMN1; SMN2 (0.52) | RAB9AHPGDP2RX7GAAPOLB | |
| SCHEMBL249743 | 0.75 | CX3CR1 (0.44) | SMN1; SMN2 |
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 |