Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.81 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.81 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.81 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.81 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.81 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.81 |
| ▸ | KDM1A | O60341 | 1/20 | 0.81 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | INSR | P06213 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3432084 | 1.00 | HDAC1 (0.81) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1613943 | 0.89 | HDAC1 (1.00) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL30477018 | 0.89 | HDAC1 (1.00) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1613939 | 0.89 | HDAC1 (1.00) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1614631 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1614665 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1614634 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1613921 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL31096918 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 | |
| Domatinostat SCHEMBL1614668 | 0.89 | HDAC1 (0.98) | HDAC1HDAC2HDAC3HDAC10HDAC11 |
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-2262775-A1 | (E)-N-(2-AMINO-PHENYL)-3-{1-[4-(1-METHYL-1H-PYRAZOL-4-YL)-BENZENESULFONYL]-1H-PYRROL-3-YL}-ACRYLAMIDE SALTS | 4SC AG (DE) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009112522-A1 | (E)-N-(2-Amino-phenyl)-3-{1-[4-(1-methyl-1H-pyrazol-4-yl)-benzenesulfonyl]-1H-pyrrol-3-yl}-acrylamide salts | 4SC AG (DE) | 2009-09-17 | — | — | WO | disclosed |