Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.55 |
| ▸ | NAMPT | P43490 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468321 | 0.87 | EGFR (0.65) | HDAC1EGFRERBB2HDAC3HDAC2 | |
| SCHEMBL28468900 | 0.84 | EGFR (0.59) | HDAC1EGFRERBB2HDAC3HDAC2 | |
| SCHEMBL28469673 | 0.84 | EGFR (0.69) | HDAC1EGFRERBB2HDAC3HDAC2 | |
| SCHEMBL1064701 | 0.81 | HDAC1 (0.65) | HDAC1NAMPTHDAC3HDAC2HDAC8 | |
| SCHEMBL1064700 | 0.81 | HDAC1 (0.65) | HDAC1NAMPTHDAC3HDAC2HDAC8 | |
| SCHEMBL28477425 | 0.81 | EGFR (0.60) | HDAC1EGFRERBB2HDAC2HDAC6 | |
| SCHEMBL1065273 | 0.79 | HDAC1 (0.71) | HDAC1NAMPTEGFRHDAC3HDAC2 | |
| SCHEMBL1065274 | 0.79 | HDAC1 (0.71) | HDAC1NAMPTEGFRHDAC3HDAC2 | |
| SCHEMBL28469669 | 0.76 | EGFR (0.61) | HDAC1EGFRERBB2HDAC3HDAC2 | |
| SCHEMBL28146282 | 0.75 | EGFR (0.68) | HDAC1EGFRERBB2HDAC2HDAC6 |
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-108409608-B | Aromatic nitrogen mustard histone deacetylase inhibitor and preparation method and application thereof | 潍坊医学院 | 2020-11-03 | — | — | CN | claimed |
| CN-108409608-B | Aromatic nitrogen mustard histone deacetylase inhibitor and preparation method and application thereof | 潍坊医学院 | 2020-11-03 | — | — | CN | disclosed |