Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28634690 | 0.92 | ALDH1A1 (0.38) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL28628460 | 0.92 | ALDH1A1 (0.41) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL28635165 | 0.92 | MAPT (0.38) | MAPK14ALDH1A1KDM4EALOX15CASP1 | |
| SCHEMBL28637432 | 0.92 | KDM4E (0.36) | ATMMAPK14ALDH1A1KDM4EALOX15 | |
| SCHEMBL28645776 | 0.91 | CYP1A2 (0.36) | MAPK14ALDH1A1KDM4EALOX15CASP1 | |
| SCHEMBL28630226 | 0.89 | MEN1 (0.38) | MAPK14ALDH1A1KDM4EALOX15CASP1 | |
| SCHEMBL22218896 | 0.89 | ALDH1A1 (0.39) | ATMMAPK14ALDH1A1KDM4EMAPT | |
| SCHEMBL28627860 | 0.89 | MAPT (0.41) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL22218076 | 0.88 | ALDH1A1 (0.42) | ATMMAPK14ALDH1A1KDM4EMAPT | |
| SCHEMBL22218148 | 0.88 | ALDH1A1 (0.45) | ATMALDH1A1KDM4EHSD17B10MAPT |
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-108137518-B | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2021-08-31 | — | — | CN | disclosed |