Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633973 | 0.89 | CA1 (0.46) | ALDH1A1MAPTSMN1; SMN2POLBBCL2A1 | |
| SCHEMBL28645488 | 0.89 | MAPK1 (0.43) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL28634158 | 0.89 | ALDH1A1 (0.41) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL22217662 | 0.88 | MAPT (0.49) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL28634661 | 0.88 | BCL2A1 (0.46) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL28647144 | 0.87 | CA1 (0.46) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL28637466 | 0.87 | PTGES (0.43) | ALDH1A1MAPTRAB9A | |
| SCHEMBL20236068 | 0.87 | MAPT (0.53) | ALDH1A1HPGDMAPTGAASMN1; SMN2 | |
| SCHEMBL20236556 | 0.87 | GAA (0.46) | ALDH1A1HPGDHSD17B10MAPTGAA | |
| SCHEMBL22218715 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10MAPTGAA |
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 |