Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28923946 | 0.89 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28633973 | 0.89 | CA1 (0.46) | ALDH1A1KDM4EMAPTSMN1; SMN2NPC1 | |
| SCHEMBL28645488 | 0.89 | MAPK1 (0.43) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28632328 | 0.88 | RAB9A (0.40) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28647144 | 0.87 | CA1 (0.46) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28637466 | 0.87 | PTGES (0.43) | ALDH1A1MAPTARRAB9A | |
| SCHEMBL16211608 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL22217616 | 0.86 | ALDH1A1 (0.40) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL22217614 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL28643589 | 0.85 | MAPK1 (0.36) | ALDH1A1HPGDKDM4ENPC1HSD17B10 |
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 |