Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | LIPE | Q05469 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | VNN1 | O95497 | 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 | |
|---|---|---|---|---|
| SCHEMBL22931775 | 1.00 | RXRA (0.32) | RXRANR1H2NR1H3MT-CO2HDAC3 | |
| SCHEMBL22931772 | 0.90 | LIPE (0.37) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL29806156 | 0.90 | LIPE (0.37) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL22932341 | 0.80 | XDH (0.33) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL22932332 | 0.80 | BCHE (0.34) | CACNA1BCACNA1CAR | |
| SCHEMBL22931787 | 0.78 | MT-CO2 (0.37) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL22931784 | 0.77 | TRPM8 (0.33) | RXRANR1H2NR1H3ALDH1A1AR | |
| SCHEMBL22931811 | 0.75 | MT-CO2 (0.35) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL22931813 | 0.74 | MT-CO2 (0.33) | RXRANR1H2NR1H3MT-CO2LIPE | |
| SCHEMBL22931809 | 0.74 | KDM4E (0.40) | RXRANR1H2NR1H3MT-CO2LIPE |
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-4003983-A1 | 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER | Basilea Pharmaceutica International AG (CH) | 2022-06-01 | — | — | EP | disclosed |
| CN-114174291-A | 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer | 巴斯利尔药物国际股份公司 | 2022-03-11 | — | — | CN | disclosed |