Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.67 |
| ▸ | ABL1 | P00519 | 2/20 | 0.67 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.67 |
| ▸ | CDK2 | P24941 | 2/20 | 0.67 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.67 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.67 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.67 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.67 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.67 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.67 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.67 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.67 |
| ▸ | FBP1 | P09467 | 1/20 | 0.54 |
| ▸ | INSR | P06213 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 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 | |
|---|---|---|---|---|
| SCHEMBL3663540 | 0.80 | EGFR (1.00) | EGFRERBB2HDAC3ABL1PDGFRB | |
| SCHEMBL3812376 | 0.75 | EGFR (0.75) | EGFRERBB2HDAC3ABL1PDGFRB | |
| SCHEMBL7122834 | 0.72 | EGFR (0.70) | EGFRERBB2AURKARPS6KB1 | |
| SCHEMBL8430947 | 0.71 | EGFR (0.64) | EGFRERBB2FBP1 | |
| SCHEMBL8434638 | 0.71 | EGFR (0.64) | EGFRERBB2FBP1 | |
| SCHEMBL4082703 | 0.71 | EGFR (0.77) | EGFRERBB2HDAC3ABL1PDGFRB | |
| SCHEMBL8470856 | 0.70 | HDAC1 (0.82) | EGFRERBB2HDAC3ABL1PDGFRB | |
| SCHEMBL27819012 | 0.70 | FBP1 (0.78) | EGFRERBB2FBP1 | |
| SCHEMBL4082708 | 0.70 | EGFR (0.56) | EGFRERBB2HDAC3ABL1PDGFRB | |
| SCHEMBL6522921 | 0.70 | EGFR (0.81) | EGFRERBB2HDAC3ABL1PDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2220042-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009063054-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2009-05-22 | — | — | WO | disclosed |