Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.86 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.86 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.86 |
| ▸ | ERBB2 | P04626 | 6/20 | 0.86 |
| ▸ | ABL1 | P00519 | 3/20 | 0.86 |
| ▸ | INSR | P06213 | 3/20 | 0.86 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.86 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.86 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.86 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.86 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.86 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.86 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.86 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.86 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.86 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.86 |
| ▸ | CDK2 | P24941 | 2/20 | 0.86 |
| ▸ | PLK1 | P53350 | 1/20 | 0.86 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.44 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714967 | 1.00 | EGFR (0.86) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL12795397 | 0.92 | EGFR (1.00) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4079486 | 0.92 | EGFR (1.00) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4077520 | 0.92 | EGFR (1.00) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4081258 | 0.90 | EGFR (0.79) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4081259 | 0.90 | EGFR (0.79) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4080298 | 0.90 | EGFR (1.00) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4080295 | 0.90 | EGFR (1.00) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4082165 | 0.89 | EGFR (0.87) | EGFRHDAC3HDAC1ERBB2ABL1 | |
| SCHEMBL4082161 | 0.89 | EGFR (0.87) | EGFRHDAC3HDAC1ERBB2ABL1 |
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 |