Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.82 |
| ▸ | EGFR | P00533 | 10/20 | 0.82 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.82 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.82 |
| ▸ | ABL1 | P00519 | 6/20 | 0.82 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.82 |
| ▸ | CDK2 | P24941 | 6/20 | 0.82 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.82 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.82 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.82 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.82 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.82 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.82 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.82 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.82 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.82 |
| ▸ | INSR | P06213 | 5/20 | 0.79 |
| ▸ | PLK1 | P53350 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3663540 | 0.90 | EGFR (1.00) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL6522921 | 0.90 | EGFR (0.81) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL4082796 | 0.88 | HDAC1 (1.00) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL4084252 | 0.86 | HDAC1 (0.81) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL15519747 | 0.79 | HDAC1 (0.65) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL8470331 | 0.79 | EGFR (0.65) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL4082703 | 0.78 | EGFR (0.77) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL15519468 | 0.76 | HDAC1 (0.62) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL3812376 | 0.76 | EGFR (0.75) | HDAC1EGFRERBB2HDAC3ABL1 | |
| SCHEMBL4570083 | 0.75 | EGFR (0.73) | HDAC1EGFRERBB2HDAC3ABL1 |
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 |