Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.30 |
| ▸ | KIT | P10721 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL22931782 | 1.00 | RXRA (0.33) | RXRANR1H2NR1H3HDAC3HDAC1 | |
| SCHEMBL22931784 | 0.81 | TRPM8 (0.33) | RXRANR1H2NR1H3CNR1CNR2 | |
| SCHEMBL24755009 | 0.78 | LIPE (0.35) | HDAC3HDAC1HDAC2HDAC6MAPT | |
| SCHEMBL29806705 | 0.78 | LIPE (0.35) | HDAC3HDAC1HDAC2HDAC6MAPT | |
| SCHEMBL24755151 | 0.76 | HDAC3 (0.33) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL22931785 | 0.75 | ABL1 (0.33) | HDAC1HDAC6CNR1LMNACYP3A4 | |
| SCHEMBL24755070 | 0.73 | NQO2 (0.35) | MAPTLMNA | |
| SCHEMBL22931775 | 0.69 | RXRA (0.32) | RXRANR1H2NR1H3HDAC3HDAC1 | |
| SCHEMBL29420832 | 0.69 | RXRA (0.32) | RXRANR1H2NR1H3HDAC3HDAC1 | |
| SCHEMBL22931787 | 0.69 | MT-CO2 (0.37) | RXRANR1H2NR1H3CNR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |