Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 12/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 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 | |
|---|---|---|---|---|
| SCHEMBL1586174 | 0.86 | TSHR (0.43) | NOTUMKEAP1CYP1A2CYP2C19HCRTR1 | |
| SCHEMBL30633068 | 0.85 | NOTUM (0.42) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1587098 | 0.85 | NOTUM (0.42) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27181822 | 0.84 | NOTUM (0.41) | NOTUMKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL18284702 | 0.83 | CYP19A1 (0.39) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1586287 | 0.83 | KEAP1 (0.44) | NOTUMKEAP1HCRTR1HCRTR2KDM4E | |
| SCHEMBL18284703 | 0.83 | NOTUM (0.38) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20142746 | 0.83 | NOTUM (0.41) | NOTUMKEAP1CYP1A2CYP2C19HCRTR1 | |
| SCHEMBL4531873 | 0.79 | HCRTR1 (0.38) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4531870 | 0.79 | CYP19A1 (0.38) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2491031-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | Janssen Pharmaceutica N.V. (BE) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011050202-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-04-28 | — | — | WO | disclosed |