Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 19/20 | 0.59 |
| ▸ | HCRTR2 | O43614 | 19/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14843787 | 0.97 | HCRTR1 (0.59) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL14843589 | 0.92 | HCRTR1 (0.71) | HCRTR1HCRTR2 | |
| SCHEMBL14844156 | 0.90 | HCRTR2 (0.60) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL14844246 | 0.88 | HCRTR1 (0.71) | HCRTR1HCRTR2 | |
| SCHEMBL14844225 | 0.85 | HCRTR1 (0.52) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL14844341 | 0.84 | HCRTR1 (0.61) | HCRTR1HCRTR2 | |
| SCHEMBL14843573 | 0.84 | HCRTR1 (0.83) | HCRTR1HCRTR2 | |
| SCHEMBL14844041 | 0.83 | HCRTR1 (0.69) | HCRTR1HCRTR2 | |
| SCHEMBL14844093 | 0.83 | HCRTR1 (0.70) | HCRTR1HCRTR2 | |
| SCHEMBL14844129 | 0.82 | HCRTR1 (0.62) | HCRTR1HCRTR2 |
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-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 | claimed |
| 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 |