Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD69 | Q07108 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8194998 | 0.86 | CD69 (0.46) | CD69ELANECYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL5325453 | 0.81 | CD69 (0.64) | CD69ELANECYP2C19 | |
| SCHEMBL29367569 | 0.81 | CD69 (0.68) | CD69ELANECYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL13992501 | 0.81 | ESR1 (0.42) | CD69ELANECYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL20994043 | 0.81 | CD69 (0.68) | CD69ELANECYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL4316384 | 0.81 | CD69 (0.68) | CD69ELANECYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL13858741 | 0.80 | ALDH1A1 (0.51) | CYP2C19ALDH1A1CYP1A2NLRP3GAA | |
| SCHEMBL18377317 | 0.79 | GAA (0.50) | CYP2C19ALDH1A1CYP1A2NLRP3GAA | |
| SCHEMBL12390575 | 0.78 | PDE5A (0.37) | CD69ELANEALDH1A1NPSR1 | |
| SCHEMBL6744989 | 0.78 | NLRP3 (0.59) | ALDH1A1NLRP3GAANPSR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007120012-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2007-10-25 | — | — | WO | disclosed |