Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13591134 | 0.93 | CYP3A4 (0.51) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL13591102 | 0.91 | CYP3A4 (0.49) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL14469149 | 0.90 | CYP3A4 (0.51) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL13591253 | 0.90 | CYP3A4 (0.48) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL13591113 | 0.89 | CYP3A4 (0.52) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL14469239 | 0.89 | CYP3A4 (0.48) | CYP3A4KDM4EALDH1A1MAPTHTT | |
| SCHEMBL13591246 | 0.88 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL13591236 | 0.88 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL13591101 | 0.86 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL14091058 | 0.86 | CYP3A4 (0.51) | CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896453-B1 | CARBON-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS | SCHERING CORP (US) | 2009-12-02 | — | — | EP | disclosed |