Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564863 | 0.81 | CSNK1A1 (0.61) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL29054844 | 0.81 | CSNK1A1 (0.50) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL6001368 | 0.75 | NISCH (0.52) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29265356 | 0.74 | NISCH (0.50) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL28766417 | 0.71 | NISCH (0.47) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL14886293 | 0.71 | CSNK1A1 (0.54) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL11813949 | 0.70 | HPGD (0.43) | ALDH1A1KDM4EKMT2AMYCHPGD | |
| SCHEMBL9260794 | 0.70 | NISCH (0.46) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 | |
| SCHEMBL19782078 | 0.68 | NISCH (0.44) | CSNK1A1TYRO3DYRK1BALDH1A1KDM4E | |
| SCHEMBL28348460 | 0.66 | CSNK1A1 (0.60) | CSNK1A1TYRO3DYRK1BPARP1ALDH1A1 |
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-1976835-A2 | HISTONE DEACETYLASE INHIBITORS | Takeda San Diego, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007084390-A2 | HISTONE DEACETYLASE INHIBITORS | TAKEDA SAN DIEGO, INC. (US) | 2007-07-26 | — | — | WO | disclosed |