Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 12/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 12/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7146555 | 1.00 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNA1CHRNA7CHKA | |
| SCHEMBL232422 | 0.83 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL24783781 | 0.81 | HTR3A (0.45) | ADAMTS5 | |
| SCHEMBL17884952 | 0.81 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL30609720 | 0.81 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL23432795 | 0.77 | ADAMTS5 (0.41) | CHRNB2CHRNA4CHRNA1CHRNA7CYP11B2 | |
| SCHEMBL25124586 | 0.77 | CHRNA7 (0.47) | CHRNA7ADAMTS5 | |
| SCHEMBL23515071 | 0.77 | KDM4E (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL4820560 | 0.77 | PIM1 (0.46) | CHRNB4CHRNA3 | |
| SCHEMBL4827737 | 0.77 | PIM1 (0.46) | CHRNB4CHRNA3 |
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-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |