Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.62 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PADI4 | Q9UM07 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2017211 | 0.90 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2019129 | 0.90 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2053619 | 0.89 | HCRTR1 (0.62) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2015020 | 0.89 | HCRTR1 (0.62) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2012699 | 0.89 | HCRTR1 (0.62) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2010539 | 0.89 | HCRTR1 (0.63) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2014960 | 0.88 | HCRTR1 (0.69) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL6919067 | 0.88 | HCRTR1 (0.69) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2013235 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2016685 | 0.87 | HCRTR1 (0.66) | HCRTR1HCRTR2NPC1RAB9APADI4 |
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 |