Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | AKT1 | P31749 | 14/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | PIM1 | P11309 | 4/20 | 0.42 |
| ▸ | PRKACA | P17612 | 4/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.42 |
| ▸ | CHUK | O15111 | 2/20 | 0.42 |
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4242134 | 1.00 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL365733 | 0.87 | ROCK2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7744103 | 0.87 | CHRNB2 (0.59) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3960211 | 0.87 | ROCK2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1691835 | 0.85 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4247313 | 0.85 | CHRNB2 (0.66) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5878807 | 0.83 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7529713 | 0.81 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Phosphoric Acid SCHEMBL3956343 | 0.81 | ROCK2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5196848 | 0.80 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-2009145996-A2 | AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2009-12-03 | — | — | WO | disclosed |