Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7098418 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HTTGAAMAPTPROKR1 | |
| SCHEMBL7105555 | 0.96 | ALDH1A1 (0.39) | ALDH1A1HTTGAAMAPTPROKR1 | |
| SCHEMBL7101906 | 0.96 | ALDH1A1 (0.39) | ALDH1A1HTTGAAMAPTPROKR1 | |
| SCHEMBL7098393 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HTTGAAMAPTCHRNB2 | |
| SCHEMBL7103930 | 0.91 | ALDH1A1 (0.40) | ALDH1A1HTTGAAMAPTCHRNB2 | |
| SCHEMBL7097808 | 0.88 | SLC6A2 (0.43) | ALDH1A1HTTPROKR1SLC6A2SLC6A4 | |
| SCHEMBL7492251 | 0.88 | SLC6A2 (0.43) | ALDH1A1HTTPROKR1SLC6A2SLC6A4 | |
| SCHEMBL7098872 | 0.87 | SLC6A2 (0.39) | ALDH1A1HTTPROKR1SLC6A2SLC6A4 | |
| SCHEMBL7103653 | 0.87 | SLC6A2 (0.39) | ALDH1A1HTTPROKR1SLC6A2SLC6A4 | |
| SCHEMBL7101818 | 0.86 | PROKR1 (0.36) | ALDH1A1HTTPROKR1SLC6A2SLC6A4 |
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 |