Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | VCP | P55072 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 2/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | NEK2 | P51955 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | TEC | P42680 | 1/20 | 0.38 |
| ▸ | TXK | P42681 | 1/20 | 0.38 |
| ▸ | BLK | P51451 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6470451 | 1.00 | NISCH (0.47) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL29957239 | 0.77 | NISCH (0.55) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL4623510 | 0.77 | NISCH (0.55) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL5481767 | 0.76 | PRKCI (0.55) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL45099 | 0.74 | KDM4E (0.68) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL29569789 | 0.74 | KDM4E (0.68) | NISCHMTORADKVCPKDM4E | |
| Oxalic Acid SCHEMBL31679099 | 0.73 | MTOR (0.54) | NISCHMTORADKVCPKDM4E | |
| SCHEMBL6470431 | 0.73 | HDAC1 (0.62) | VCP | |
| SCHEMBL6470430 | 0.73 | HDAC1 (0.62) | VCP | |
| SCHEMBL16777437 | 0.73 | NISCH (0.72) | NISCHMTORADKVCPKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005065681-A1 | N- HYDROXY-3-(3-(1H-IMIDAZOL-2-YL)-PHENYL)-ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HISTONE DEACETYLASE (HDAC) INHIBITORS FOR THE TREATMENT OF CANCER | TAKEDA SAN DIEGO, INC. (US) | 2005-07-21 | — | — | WO | disclosed |