Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | TGM1 | P22735 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL649306 | 1.00 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B | |
| SCHEMBL654459 | 0.86 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B | |
| SCHEMBL652520 | 0.84 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B | |
| SCHEMBL651154 | 0.83 | GRIN2B (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B | |
| SCHEMBL651870 | 0.83 | GRIN2B (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B | |
| SCHEMBL3572884 | 0.81 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL3572882 | 0.81 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL3572880 | 0.81 | CHRNB2 (0.56) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL653674 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL650793 | 0.78 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3GRIN2B |
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 |