Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25181753 | 0.97 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL10349144 | 0.82 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Glutaral SCHEMBL28266755 | 0.80 | HIF1A (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL10627947 | 0.79 | HDAC3 (0.43) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Glycidol SCHEMBL28870162 | 0.79 | HDAC3 (0.32) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13154302 | 0.78 | — | — | |
| SCHEMBL28834436 | 0.78 | — | — | |
| SCHEMBL1060745 | 0.78 | — | — | |
| SCHEMBL1060747 | 0.78 | — | — | |
| SCHEMBL28845996 | 0.78 | — | — |
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-109320508-A | Compound with isothiazolinone and N-arylpyrazole structure and preparation method and application thereof | 南京工业大学 | 2019-02-12 | — | — | CN | disclosed |