Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.53 |
| ▸ | SCD | O00767 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27797896 | 0.86 | HDAC3 (0.52) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31644307 | 0.83 | HDAC3 (0.52) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL22727981 | 0.83 | HDAC3 (0.52) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL28321163 | 0.83 | HDAC3 (0.52) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319590 | 0.82 | HDAC3 (0.51) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319639 | 0.80 | HDAC3 (0.49) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319666 | 0.79 | HDAC3 (0.48) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319588 | 0.79 | AR (0.56) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319580 | 0.79 | AR (0.56) | HDAC8HDAC3NCOR2SCDAR | |
| SCHEMBL31319701 | 0.78 | AR (0.48) | HDAC8HDAC3NCOR2SCDAR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108864057-B | JAK and HDAC double-target-point inhibitor containing 4-aminopyrazole structure and preparation method and application thereof | 山东大学 | 2020-03-31 | — | — | CN | claimed |
| CN-108864057-B | JAK and HDAC double-target-point inhibitor containing 4-aminopyrazole structure and preparation method and application thereof | 山东大学 | 2020-03-31 | — | — | CN | disclosed |