Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21634090 | 0.85 | HDAC6 (0.67) | HDAC6SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL21634167 | 0.85 | HDAC6 (0.67) | HDAC6SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL21650573 | 0.81 | HDAC6 (0.53) | HDAC6SMN1; SMN2 | |
| SCHEMBL21650530 | 0.77 | HDAC6 (0.51) | HDAC6SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL21650531 | 0.73 | ALDH1A1 (0.47) | HDAC6SMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL21650586 | 0.72 | TSHR (0.52) | HDAC6NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL21650529 | 0.71 | HDAC6 (0.48) | HDAC6RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL21650589 | 0.70 | HDAC6 (0.52) | HDAC6ALDH1A1 | |
| SCHEMBL21650562 | 0.68 | HDAC6 (0.56) | HDAC6SMN1; SMN2ALDH1A1KDM4EMAPK1 | |
| SCHEMBL25017298 | 0.67 | HDAC6 (0.81) | HDAC6L3MBTL1 |
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-3827004-B1 | 4-(1,3,4-OXADIAZOLE-2-YL)PYRIDINE-2(1H)-ONE DERIVATIVES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS FOR THE TREATMENT OF E.G. INFECTIONS | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2023-10-11 | — | — | EP | disclosed |
| WO-2020022794-A1 | 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2020-01-30 | — | — | WO | disclosed |