Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 15/20 | 0.63 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14844190 | 0.89 | HCRTR1 (0.59) | HCRTR2HCRTR1NPC1RAB9A | |
| SCHEMBL14843594 | 0.89 | HCRTR2 (0.57) | HCRTR2HCRTR1 | |
| SCHEMBL14843972 | 0.89 | HCRTR2 (0.63) | HCRTR2HCRTR1NPC1RAB9A | |
| SCHEMBL14844218 | 0.87 | HCRTR2 (0.59) | HCRTR2HCRTR1NPC1 | |
| SCHEMBL14843441 | 0.86 | HCRTR2 (0.55) | HCRTR2HCRTR1NPC1RAB9ATP53 | |
| SCHEMBL14843823 | 0.85 | HCRTR2 (0.59) | HCRTR2HCRTR1 | |
| SCHEMBL14844142 | 0.84 | HCRTR2 (0.62) | HCRTR2HCRTR1 | |
| SCHEMBL14844140 | 0.84 | HCRTR1 (0.56) | HCRTR2HCRTR1NPC1RAB9ATP53 | |
| SCHEMBL4311451 | 0.83 | HCRTR1 (0.63) | HCRTR2HCRTR1 | |
| SCHEMBL14844191 | 0.83 | HCRTR2 (0.57) | HCRTR2HCRTR1NPC1RAB9A |
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-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |