Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7103962 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CHRNB2CHRNA4SLC6A2SLC6A4 | |
| SCHEMBL7098495 | 0.96 | CHRNB2 (0.42) | CHRNB2CHRNA4PROKR1CHRNA3CHRNA7 | |
| SCHEMBL7100959 | 0.90 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL7480342 | 0.90 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL7487485 | 0.89 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4CHRNA3CHRNA7 | |
| SCHEMBL7097525 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4 | |
| SCHEMBL7098460 | 0.85 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNA3CHRNA7CHRNB4 | |
| SCHEMBL7487692 | 0.84 | PROKR1 (0.35) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7485261 | 0.84 | PROKR1 (0.35) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7492251 | 0.80 | SLC6A2 (0.43) | ALDH1A1CHRNB2CHRNA4SLC6A2SLC6A4 |
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 |