Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 9/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100478 | 0.98 | SCN10A (0.44) | SCN10ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7098064 | 0.98 | SCN10A (0.44) | SCN10ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7098394 | 0.83 | CHRNA3 (0.42) | SCN10ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7102097 | 0.82 | CHRNA3 (0.41) | SCN10ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7102552 | 0.82 | CHRNA3 (0.41) | SCN10ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7102129 | 0.74 | ROCK2 (0.34) | CHRNB4CHRNA3ROCK2ROCK1CDC42BPB | |
| SCHEMBL7098027 | 0.72 | ROCK2 (0.36) | CHRNB4CHRNA3ROCK2ROCK1CDC42BPB | |
| SCHEMBL7100975 | 0.72 | ROCK2 (0.36) | CHRNB4CHRNA3ROCK2ROCK1CDC42BPB | |
| SCHEMBL10480726 | 0.72 | HRH3 (0.42) | HRH3 | |
| SCHEMBL7101238 | 0.71 | ALDH1A1 (0.42) | 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 6 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 |
| CN-1361774-A | Heterocyclic substituted amino nitrogen heterocycles as central nervous system medicaments | ABBOTT INC (US) | 2002-07-31 | — | — | CN | 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 |