Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098027 | 1.00 | ROCK2 (0.36) | ROCK2ROCK1CDC42BPBNAMPTKDM1A | |
| SCHEMBL7102129 | 0.98 | ROCK2 (0.34) | ROCK2ROCK1CDC42BPBNAMPTKDM1A | |
| SCHEMBL7127198 | 0.79 | KMT2A (0.38) | KDM1AMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL7125472 | 0.77 | KMT2A (0.39) | MEN1KMT2AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7102556 | 0.76 | SCN10A (0.48) | MEN1KMT2AALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7484842 | 0.75 | SCN10A (0.47) | MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL7103744 | 0.75 | SCN10A (0.44) | CHRNB4CHRNA3GRM5SMN1; SMN2 | |
| SCHEMBL7102097 | 0.75 | CHRNA3 (0.41) | KDM1ACHRNB4CHRNA3GRM5 | |
| SCHEMBL7100478 | 0.75 | SCN10A (0.44) | ROCK2ROCK1CDC42BPBKCNH2CHRNB4 | |
| SCHEMBL7102552 | 0.75 | CHRNA3 (0.41) | KDM1ACHRNB4CHRNA3GRM5 |
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 |