Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | PLEC | Q15149 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL4540577 | 0.89 | PGK1 (0.44) | ALDH1A1HPGDKDM4EHSD17B10PGK1 | |
| SCHEMBL3569660 | 0.73 | KDM4E (0.43) | ALDH1A1HPGDKDM4EHSD17B10PGK1 | |
| SCHEMBL18992945 | 0.70 | MKNK1 (0.40) | ALDH1A1HPGDKDM4EHSD17B10MKNK1 | |
| SCHEMBL2904340 | 0.68 | UTS2R (0.41) | ALDH1A1HPGDKDM4EHSD17B10PGK1 | |
| SCHEMBL13964874 | 0.67 | MME (0.48) | ALDH1A1HPGDKDM4EHSD17B10MAPK8 | |
| SCHEMBL5264765 | 0.66 | ALDH1A1 (0.41) | ALDH1A1HPGDKDM4EHSD17B10MKNK1 | |
| SCHEMBL9512487 | 0.66 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EHSD17B10MKNK1 | |
| SCHEMBL8600507 | 0.65 | MKNK1 (0.41) | ALDH1A1HPGDKDM4EHSD17B10MKNK1 | |
| SCHEMBL19310488 | 0.65 | NOS2 (0.47) | ALDH1A1HPGDKDM4EHSD17B10MAPK8 | |
| SCHEMBL5263528 | 0.65 | PLK1 (0.45) | ALDH1A1MKNK1MKNK2MAPK8GAA |
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-2009140164-A1 | 6-AMINONICOTINAMIDE DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS | CHIPSCREEN BIOSCIENCES LTD. (CN) | 2009-11-19 | — | — | WO | disclosed |