Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 7/20 | 0.32 |
| ▸ | MAOA | P21397 | 5/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19995890 | 0.61 | RIPK1 (0.56) | MAOB | |
| SCHEMBL19995901 | 0.61 | RIPK1 (0.56) | MAOB | |
| SCHEMBL1651691 | 0.60 | RIPK1 (0.51) | MAOB | |
| SCHEMBL16878987 | 0.58 | KDM1A (0.41) | OPRK1MAOBALDH1A1LMNAKDM1A | |
| SCHEMBL22003931 | 0.57 | ACLY (0.44) | OPRK1ALDH1A1CYP3A4ATM | |
| SCHEMBL12397137 | 0.57 | LMNA (0.50) | OPRK1ALDH1A1LMNADRD4OPRM1 | |
| SCHEMBL21940874 | 0.55 | PTPN11 (0.39) | — | |
| SCHEMBL21940872 | 0.55 | PTPN11 (0.39) | — | |
| SCHEMBL19995564 | 0.55 | RAB9A (0.56) | ALDH1A1LMNAPOLBMAPTATM | |
| SCHEMBL9910977 | 0.55 | BRD4 (0.53) | LMNADRD4OPRM1PTGS2HRH1 |
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-4288419-A1 | 1,3,4-OXADIAZOLE THIOCARBONYL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Chong Kun Dang Pharmaceutical Corp. (KR) | 2023-12-13 | — | — | EP | disclosed |
| WO-2022215020-A1 | 1,3,4-OXADIAZOLE THIOCARBONYL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2022-10-13 | — | — | WO | disclosed |