Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28611014 | 0.91 | NAMPT (0.46) | NAMPTCHRM4CYP2C19MEN1KMT2A | |
| SCHEMBL18263694 | 0.91 | HDAC6 (0.48) | NAMPTHDAC6 | |
| SCHEMBL28599106 | 0.91 | NAMPT (0.50) | NAMPTCHRM4CYP3A4ITGB3ITGA2B | |
| SCHEMBL18263813 | 0.90 | NAMPT (0.44) | NAMPTALDH1A1TSHRSMN1; SMN2CHRM4 | |
| SCHEMBL18271365 | 0.86 | NAMPT (0.45) | NAMPT | |
| SCHEMBL18263786 | 0.84 | HDAC6 (0.53) | NAMPTHDAC6 | |
| SCHEMBL18263714 | 0.83 | NAMPT (0.48) | NAMPT | |
| SCHEMBL18263850 | 0.82 | HDAC6 (0.46) | NAMPTCHRM4CYP2C19MEN1KMT2A | |
| SCHEMBL18263793 | 0.82 | HDAC6 (0.50) | NAMPTCYP3A4HDAC6 | |
| SCHEMBL18263775 | 0.82 | MEN1 (0.44) | NAMPTCHRM4CYP2C19MEN1KMT2A |
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-108026057-B | Heterocycloalkyl-derived compounds as selective histone deacetylase inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2021-08-06 | — | — | CN | disclosed |