Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.65 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 16/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.64 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.64 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.64 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.60 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.52 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469673 | 0.96 | EGFR (0.69) | EGFRERBB2HDAC1HDAC3HDAC2 | |
| SCHEMBL28469669 | 0.87 | EGFR (0.61) | EGFRERBB2HDAC1HDAC3HDAC2 | |
| SCHEMBL28475201 | 0.87 | HDAC1 (0.55) | EGFRERBB2HDAC1HDAC3HDAC2 | |
| SCHEMBL28146282 | 0.84 | EGFR (0.68) | EGFRERBB2HDAC1HDAC2HDAC6 | |
| SCHEMBL16692344 | 0.82 | HDAC1 (0.71) | HDAC1HDAC3HDAC2NCOR2HDAC8 | |
| SCHEMBL28232821 | 0.80 | EGFR (0.71) | EGFRERBB2HDAC1HDAC3HDAC2 | |
| SCHEMBL31060864 | 0.79 | EGFR (0.73) | EGFRERBB2HDAC1HDAC2MAPK1 | |
| SCHEMBL653999 | 0.79 | HDAC1 (0.70) | HDAC1HDAC3HDAC2NCOR2HDAC8 | |
| SCHEMBL649708 | 0.78 | HDAC1 (0.69) | HDAC1HDAC3HDAC2NCOR2HDAC8 | |
| SCHEMBL8401704 | 0.78 | HDAC1 (0.89) | HDAC1HDAC3HDAC2NCOR2HDAC8 |
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 |