Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 8/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.59 |
| ▸ | EGFR | P00533 | 13/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4085574 | 0.81 | HDAC3 (1.00) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL3809756 | 0.75 | HDAC3 (1.00) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL4082072 | 0.74 | HDAC3 (0.75) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL1507476 | 0.73 | EGFR (0.80) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL25386305 | 0.72 | EGFR (0.76) | HDAC3HDAC1EGFRERBB2ERBB4 | |
| Hydrochloric Acid SCHEMBL1507687 | 0.72 | EGFR (0.79) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL4079641 | 0.72 | HDAC1 (1.00) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL25341768 | 0.71 | EGFR (0.78) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL13514718 | 0.70 | EGFR (0.66) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL13514800 | 0.70 | EGFR (0.72) | HDAC3HDAC1HDAC4HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2060565-A1 | Novel bifunctional compounds which inhibit protein kinases and histone deacetylases | 4SC AG (DE) | 2009-05-20 | — | — | EP | disclosed |