Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 5/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.46 |
| ▸ | CHRNG | P07510 | 1/20 | 0.46 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.46 |
| ▸ | CHRND | Q07001 | 1/20 | 0.46 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098421 | 0.99 | CHRNB4 (0.47) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7101836 | 0.95 | CHRNA3 (0.51) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7099484 | 0.87 | CHRNA3 (0.62) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7101829 | 0.86 | CHRNA3 (0.64) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7099210 | 0.82 | CHRNA3 (0.69) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7097552 | 0.80 | RIPK1 (0.42) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7098412 | 0.79 | RIPK1 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7097804 | 0.78 | KDM4E (0.40) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7101914 | 0.76 | KDM4E (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 | |
| SCHEMBL7102539 | 0.76 | DRD3 (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003500402-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | claimed |
| 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 |