Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15383496 | 0.80 | HDAC1 (0.52) | HDAC6HDAC1GAASMN1; SMN2KDM4E | |
| SCHEMBL9162251 | 0.80 | HDAC1 (0.47) | HDAC6HDAC1GAASMN1; SMN2POLB | |
| SCHEMBL7981477 | 0.79 | GAA (0.55) | HDAC6HDAC1CYP11B1CYP11B2GAA | |
| SCHEMBL12687871 | 0.76 | CES2 (0.63) | HDAC6HDAC1GAASMN1; SMN2KDM4E | |
| SCHEMBL12121136 | 0.74 | HDAC7 (0.57) | HDAC6HDAC1GAASMN1; SMN2POLB | |
| SCHEMBL13753083 | 0.74 | BRD4 (0.46) | HDAC6HDAC1CYP11B1CYP11B2SMN1; SMN2 | |
| SCHEMBL6415787 | 0.74 | POLB (0.71) | CYP11B1CYP11B2GAAPOLBAPEX1 | |
| SCHEMBL13761352 | 0.74 | MAPT (0.49) | CYP11B1CYP11B2GAASMN1; SMN2POLB | |
| SCHEMBL13485811 | 0.74 | DGAT1 (0.63) | HDAC6HDAC1GAASMN1; SMN2LMNA | |
| SCHEMBL8064572 | 0.74 | CES2 (0.54) | CYP11B1CYP11B2POLBAPEX1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-115093377-B | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-115093377-A | Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |