Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CCR6 | P51684 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL557621 | 0.85 | NPC1 (0.73) | SMN1; SMN2LMNAHTTALDH1A1GAA | |
| SCHEMBL10978008 | 0.85 | NPC1 (0.71) | SMN1; SMN2LMNAALDH1A1GAAMAPT | |
| SCHEMBL28056929 | 0.83 | ATG4B (0.59) | SMN1; SMN2LMNATDP1HTTALDH1A1 | |
| SCHEMBL9317188 | 0.83 | NPC1 (0.70) | SMN1; SMN2LMNAHTTALDH1A1GAA | |
| SCHEMBL9317189 | 0.83 | NPC1 (0.70) | SMN1; SMN2LMNAHTTALDH1A1GAA | |
| SCHEMBL16566469 | 0.79 | ALDH1A1 (0.74) | SMN1; SMN2LMNATDP1HTTALDH1A1 | |
| Naphthalene SCHEMBL9316632 | 0.78 | NPC1 (0.63) | SMN1; SMN2LMNAHTTALDH1A1GAA | |
| SCHEMBL10382103 | 0.78 | GAA (0.64) | SMN1; SMN2LMNAALDH1A1GAAMAPT | |
| SCHEMBL11920080 | 0.77 | SMN1; SMN2 (1.00) | SMN1; SMN2LMNATDP1HTTALDH1A1 | |
| SCHEMBL28471166 | 0.76 | NPC1 (0.61) | SMN1; SMN2LMNAALDH1A1GAAMAPT |
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 3 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 |
| CN-117120421-A | 1,3, 4-oxadiazole thiocarbonyl compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2023-11-24 | — | — | CN | 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 |