Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 16/20 | 0.60 |
| ▸ | HCRTR1 | O43613 | 14/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14843973 | 0.99 | HCRTR2 (0.59) | HCRTR2HCRTR1CHRNA4CHRNB2CHRNB4 | |
| SCHEMBL6923834 | 0.88 | HCRTR2 (0.69) | HCRTR2HCRTR1 | |
| SCHEMBL14844063 | 0.87 | HCRTR2 (0.61) | HCRTR2HCRTR1 | |
| SCHEMBL4319001 | 0.82 | HCRTR2 (0.61) | HCRTR2HCRTR1 | |
| SCHEMBL14843881 | 0.81 | HCRTR2 (0.55) | HCRTR2HCRTR1 | |
| SCHEMBL6900585 | 0.81 | HCRTR2 (0.65) | HCRTR2HCRTR1 | |
| SCHEMBL14844232 | 0.79 | HCRTR2 (0.60) | HCRTR2HCRTR1 | |
| SCHEMBL14843639 | 0.78 | HCRTR2 (0.58) | HCRTR2HCRTR1 | |
| SCHEMBL13703423 | 0.78 | HCRTR2 (0.56) | HCRTR2HCRTR1 | |
| SCHEMBL17501812 | 0.77 | HCRTR2 (0.65) | HCRTR2HCRTR1 |
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 |