Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 18/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 18/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 18/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 18/20 | 0.38 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.34 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579621 | 0.83 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4MBTD1 | |
| SCHEMBL1586665 | 0.83 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4MBTD1 | |
| SCHEMBL3580704 | 0.83 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4MBTD1 | |
| SCHEMBL31453271 | 0.74 | HSD11B1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL3 | |
| SCHEMBL28457915 | 0.74 | MBTD1 (0.38) | MBTD1L3MBTL3 | |
| SCHEMBL13760961 | 0.74 | GPR119 (0.47) | — | |
| SCHEMBL928825 | 0.74 | GPR119 (0.47) | — | |
| SCHEMBL1658442 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL4743328 | 0.73 | KDM1A (0.37) | MBTD1L3MBTL3 | |
| SCHEMBL3332672 | 0.72 | CHRNB2 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4MBTD1 |
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-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |