Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 5/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.51 |
| ▸ | BRD4 | O60885 | 2/20 | 0.49 |
| ▸ | UQCRB | P14927 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6301508 | 0.90 | AURKA (0.53) | HSD17B2AURKAKDRAURKBMAP1LC3B | |
| SCHEMBL11126460 | 0.88 | HSD17B2 (0.55) | HSD17B2AURKAKDRAURKBMAP1LC3B | |
| SCHEMBL10884996 | 0.88 | MAP1LC3B (0.48) | HSD17B2AURKAKDRAURKBMAP1LC3B | |
| SCHEMBL6295432 | 0.88 | MAP1LC3B (0.48) | HSD17B2AURKAKDRAURKBMAP1LC3B | |
| SCHEMBL8756642 | 0.88 | MAP1LC3B (0.48) | HSD17B2AURKAKDRAURKBMAP1LC3B | |
| SCHEMBL11125333 | 0.83 | HSD17B2 (0.48) | HSD17B2MAP1LC3BUQCRBALDH1A1KDM4E | |
| SCHEMBL10192115 | 0.81 | SMN1; SMN2 (0.55) | AURKAKDRAURKBBRD4ALDH1A1 | |
| SCHEMBL16868361 | 0.80 | BRD4 (0.49) | AURKAKDRAURKBBRD4SMN1; SMN2 | |
| SCHEMBL20098109 | 0.80 | KIT (0.50) | AURKAKDRAURKBBRD4ALDH1A1 | |
| SCHEMBL1876467 | 0.80 | ALDH1A1 (0.65) | AURKAKDRAURKBMAP1LC3BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922362-A | 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-04-17 | — | — | CN | disclosed |