Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.63 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PADI4 | Q9UM07 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2053613 | 1.00 | HCRTR1 (0.63) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2011910 | 0.93 | HCRTR1 (0.69) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2017217 | 0.89 | HCRTR1 (0.64) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2014068 | 0.88 | HCRTR1 (0.65) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2016237 | 0.88 | HCRTR1 (0.64) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2054319 | 0.88 | HCRTR1 (0.64) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL6919382 | 0.86 | HCRTR1 (0.72) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2010949 | 0.86 | HCRTR1 (0.72) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL13139102 | 0.86 | HCRTR1 (0.71) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2012646 | 0.85 | HCRTR1 (0.60) | HCRTR1HCRTR2NPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073316-A1 | 4-ARYL-BUTANE-1,3-DIAMIDES | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073316-A1 | 4-ARYL-BUTANE-1,3-DIAMIDES | NOVARTIS AG (CH) | 2011-06-23 | — | — | WO | disclosed |