Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18263850 | 0.92 | HDAC6 (0.46) | NAMPTMEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL28601830 | 0.91 | NAMPT (0.45) | NAMPTMEN1KMT2ACYP2C19CHRM4 | |
| SCHEMBL18263775 | 0.91 | MEN1 (0.44) | NAMPTMEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL28599106 | 0.86 | NAMPT (0.50) | NAMPTCHRM4DRD2DRD3ITGB3 | |
| SCHEMBL18271365 | 0.83 | NAMPT (0.45) | NAMPTDRD2DRD3CCR5 | |
| SCHEMBL18263694 | 0.82 | HDAC6 (0.48) | NAMPTHDAC6 | |
| SCHEMBL18263813 | 0.82 | NAMPT (0.44) | NAMPTMEN1KMT2ACYP2C19CHRM4 | |
| SCHEMBL18263786 | 0.81 | HDAC6 (0.53) | NAMPTHDAC6 | |
| SCHEMBL18263714 | 0.81 | NAMPT (0.48) | NAMPTDRD2DRD3OPRM1OPRD1 | |
| SCHEMBL28598203 | 0.78 | CCR5 (0.49) | MEN1KMT2ANPC1OPRM1OPRD1 |
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 |