Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 19/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 12/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29966955 | 0.74 | HDAC6 (0.39) | HDAC1HDAC6HDAC8HDAC5 | |
| Hydrochloric Acid SCHEMBL29975002 | 0.73 | HDAC6 (0.45) | HDAC1HDAC6HDAC8HDAC5 | |
| SCHEMBL29966357 | 0.70 | HDAC1 (0.41) | HDAC1HDAC6HDAC8HDAC5 | |
| SCHEMBL29974895 | 0.69 | HDAC6 (0.46) | HDAC1HDAC6HDAC8HDAC5 | |
| SCHEMBL29571861 | 0.68 | HDAC4 (0.60) | HDAC1HDAC6HDAC8HDAC5 | |
| SCHEMBL8363221 | 0.68 | HDAC4 (0.46) | HDAC1HDAC6HDAC8HDAC5GRM2 | |
| SCHEMBL6793694 | 0.68 | HDAC4 (0.50) | HDAC1HDAC6HDAC8HDAC5GRM2 | |
| SCHEMBL2174682 | 0.66 | MRGPRX4 (0.43) | HDAC1GRM2 | |
| SCHEMBL6798232 | 0.65 | HDAC6 (0.48) | HDAC1HDAC6HDAC8HDAC5GRM2 | |
| SCHEMBL6675419 | 0.65 | GRM2 (0.40) | GRM2 |
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-2022207496-A1 | 3-(HETERO)ARYL-5-CHLORODIFLUOROMETHYL-1,2,4-OXADIAZOLE AS FUNGICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2022-10-06 | — | — | WO | disclosed |