Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 3/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL650794 | 1.00 | SMN1; SMN2 (0.37) | SMN1; SMN2HTTALOX15CASP3CHRNB2 | |
| SCHEMBL652629 | 0.86 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL654607 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL649575 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL651858 | 0.84 | ARG1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL651155 | 0.84 | ARG1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL651156 | 0.84 | ARG1 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL653675 | 0.81 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL929834 | 0.81 | CHRNB2 (0.41) | HTTCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL654460 | 0.80 | MEN1 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119635-B2 | Diazabicyclic central nervous system active agents | ABBOTT LABORATORIES (US) | 2012-02-21 | — | — | US | disclosed |
| EP-2298775-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-23 | — | — | EP | disclosed |
| EP-2295437-A1 | Diazabicyclic central nervous system active agents | Abbott Laboratories (US) | 2011-03-16 | — | — | EP | disclosed |