Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 14/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 12/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2001184 | 0.83 | EPHX2 (0.41) | ALDH1A1KDM4ERCE1EPHX2NR1H4 | |
| SCHEMBL2002663 | 0.83 | EPHX2 (0.43) | ALDH1A1KDM4ERCE1EPHX2NR1H4 | |
| SCHEMBL5509325 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4ERCE1EPHX2NR1H4 | |
| SCHEMBL2003851 | 0.79 | PIK3CD (0.39) | ALDH1A1KDM4ERCE1EPHX2NR1H4 | |
| SCHEMBL2002176 | 0.78 | EPHX2 (0.52) | EPHX2NR1H4PPARG | |
| SCHEMBL2952173 | 0.75 | KDM4E (0.47) | ALDH1A1KDM4E | |
| SCHEMBL28772365 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1KDM4ERCE1EPHX2NR1H4 | |
| SCHEMBL15608399 | 0.74 | EPHX2 (0.38) | ALDH1A1KDM4EEPHX2NR1H4 | |
| SCHEMBL5502890 | 0.73 | EPHX2 (0.35) | EPHX2NR1H4 | |
| SCHEMBL980032 | 0.70 | PIK3CD (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861358-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101321-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |