Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100975 | 0.98 | ROCK2 (0.36) | ROCK2ROCK1CDC42BPBNAMPTCHRNB4 | |
| SCHEMBL7098027 | 0.98 | ROCK2 (0.36) | ROCK2ROCK1CDC42BPBNAMPTCHRNB4 | |
| SCHEMBL7125472 | 0.78 | KMT2A (0.39) | ALDH1A1 | |
| SCHEMBL7102556 | 0.77 | SCN10A (0.48) | ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL7127198 | 0.76 | KMT2A (0.38) | ALDH1A1KDM1A | |
| Hydrochloric Acid SCHEMBL7484842 | 0.76 | SCN10A (0.47) | ALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL7103327 | 0.74 | SCN10A (0.42) | ROCK2ROCK1CDC42BPBCHRNB4CHRNA3 | |
| SCHEMBL7102415 | 0.74 | CHRNB2 (0.44) | ROCK2ROCK1CHRNB4CHRNA3CYP11B2 | |
| SCHEMBL7098394 | 0.74 | CHRNA3 (0.42) | CHRNB4CHRNA3KDM1A | |
| SCHEMBL7102552 | 0.73 | CHRNA3 (0.41) | CHRNB4CHRNA3KDM1A |
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 |