Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.60 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PADI4 | Q9UM07 | 3/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CTSV | O60911 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2054308 | 1.00 | HCRTR1 (0.60) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2012487 | 0.95 | HCRTR1 (0.61) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2011985 | 0.87 | HCRTR1 (0.58) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2015340 | 0.87 | HCRTR1 (0.57) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2017894 | 0.87 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9AALDH1A1 | |
| SCHEMBL2017423 | 0.87 | HCRTR1 (0.62) | HCRTR1HCRTR2NPC1RAB9APADI4 | |
| SCHEMBL2052571 | 0.87 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9AALDH1A1 | |
| SCHEMBL2013226 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9AALDH1A1 | |
| SCHEMBL2013176 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2NPC1RAB9AALDH1A1 | |
| SCHEMBL2012754 | 0.86 | HCRTR1 (0.62) | 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 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 |