Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6973685 | 0.83 | MEN1 (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7803133 | 0.82 | ALDH1A1 (0.50) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8898967 | 0.81 | GPBAR1 (0.38) | GPBAR1MEN1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7815376 | 0.81 | FFAR1 (0.40) | ALDH1A1 | |
| SCHEMBL7803020 | 0.78 | ALDH1A1 (0.39) | TACR2ALDH1A1 | |
| SCHEMBL7815209 | 0.76 | TACR1 (0.50) | CYP3A4CYP2D6TACR2MEN1KMT2A | |
| SCHEMBL8799934 | 0.75 | ALDH1A1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7807544 | 0.75 | KDM4E (0.45) | ALDH1A1 | |
| SCHEMBL7802828 | 0.74 | TACR1 (0.56) | TACR2ALDH1A1 | |
| SCHEMBL7811272 | 0.74 | CDK8 (0.40) | GPBAR1MEN1ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0773929-A1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996039386-A1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1996-12-12 | — | — | WO | disclosed |