Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2014754 | 1.00 | HCRTR1 (0.46) | HCRTR1HCRTR2HTR1AADRA2AADRA2B | |
| SCHEMBL2016049 | 0.90 | HCRTR1 (0.46) | HCRTR1HCRTR2HTR1AHTR2ADRD3 | |
| SCHEMBL2016048 | 0.90 | HCRTR1 (0.46) | HCRTR1HCRTR2HTR1AHTR2ADRD3 | |
| SCHEMBL2013785 | 0.84 | HCRTR1 (0.67) | HCRTR1HCRTR2HTR1AADRA2AADRA2B | |
| SCHEMBL2011909 | 0.83 | HCRTR1 (0.45) | HCRTR1HCRTR2ADRA1DADRA1AADRA1B | |
| SCHEMBL2011913 | 0.83 | HCRTR1 (0.45) | HCRTR1HCRTR2ADRA1DADRA1AADRA1B | |
| SCHEMBL2050042 | 0.74 | NPC1 (0.38) | HCRTR1HCRTR2ADRA1DADRA1AADRA1B | |
| SCHEMBL2013242 | 0.74 | HCRTR1 (0.70) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2015950 | 0.74 | HCRTR1 (0.70) | HCRTR1HCRTR2ALDH1A1NPC1RAB9A | |
| SCHEMBL6918071 | 0.73 | HCRTR1 (0.66) | HCRTR1HCRTR2HTR1AHTR2ADRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073316-A1 | 4-ARYL-BUTANE-1,3-DIAMIDES | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | disclosed |