Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.31 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12521317 | 0.77 | NR4A1 (0.45) | KDM4EALDH1A1SLC9A1RXRACYP1A2 | |
| SCHEMBL2323764 | 0.76 | KDM4E (0.52) | KDM4EALDH1A1SLC9A1RXRACYP1A2 | |
| SCHEMBL1661873 | 0.75 | NOTUM (0.46) | KDM4EALDH1A1SLC6A1 | |
| SCHEMBL2318440 | 0.75 | CYP1A1 (0.42) | CYP1A2CYP2C19 | |
| SCHEMBL347778 | 0.68 | CES2 (0.41) | ALDH1A1 | |
| SCHEMBL6009742 | 0.65 | MEN1 (0.45) | KDM4E | |
| SCHEMBL7325347 | 0.65 | AR (0.35) | KDM4EALDH1A1SLC9A1RXRACYP1A2 | |
| SCHEMBL1063612 | 0.64 | KDM4E (0.54) | KDM4EALDH1A1SLC6A1RXRACYP2C19 | |
| SCHEMBL12328697 | 0.64 | KDM4E (0.63) | KDM4EALDH1A1SLC9A1RXRACYP1A2 | |
| SCHEMBL21012216 | 0.64 | KIF11 (0.33) | ALDH1A1 |
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-2307394-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |