Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 3/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627811 | 0.92 | ATM (0.38) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL28637432 | 0.90 | KDM4E (0.36) | ALDH1A1HTR2AKDM4EALOX15CASP1 | |
| SCHEMBL28628460 | 0.90 | ALDH1A1 (0.41) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL28635165 | 0.90 | MAPT (0.38) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL28632360 | 0.90 | CCR3 (0.38) | ALDH1A1RORCKDM4EHSD17B10KMT2A | |
| SCHEMBL28645776 | 0.90 | CYP1A2 (0.36) | ALDH1A1KDM4EALOX15CASP1CASP7 | |
| SCHEMBL22218042 | 0.89 | TNKS (0.40) | ALDH1A1CA1CA2TNKSTNKS2 | |
| SCHEMBL22217729 | 0.89 | ALDH1A1 (0.41) | ALDH1A1CA1CA2TNKSTNKS2 | |
| SCHEMBL22218490 | 0.89 | ALDH1A1 (0.44) | ALDH1A1TNKSTNKS2KDM4EMTNR1B | |
| SCHEMBL20236487 | 0.89 | BDKRB1 (0.39) | ALDH1A1CA1CA2TNKSTNKS2 |
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 |