Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 3/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1409867 | 0.86 | HRH3 (0.41) | BTKHRH3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL5329004 | 0.85 | CHRNB2 (0.41) | BTKHRH3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1586789 | 0.84 | HRH3 (0.41) | BTKHRH3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL25762342 | 0.83 | BTK (0.50) | BTKHRH3CHRM2CHRM1CHRM3 | |
| SCHEMBL1296378 | 0.83 | BTK (0.50) | BTKHRH3CHRM2CHRM1CHRM3 | |
| SCHEMBL1690233 | 0.83 | HRH3 (0.49) | BTKHRH3CHRM2CHRM1CHRM3 | |
| SCHEMBL1298062 | 0.83 | HRH3 (0.43) | BTKHRH3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4610484 | 0.82 | BTK (0.42) | BTKHRH3CHRNB2CHRNA4CHRM2 | |
| SCHEMBL18435732 | 0.82 | BTK (0.41) | BTKHRH3CHRM2CHRM1CHRM3 | |
| SCHEMBL23925520 | 0.80 | BTK (0.40) | BTKHRH3CHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2164847-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-03-24 | — | — | EP | disclosed |
| WO-2009004584-A1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-01-08 | — | — | WO | disclosed |