Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.32 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199512 | 0.83 | TSHR (0.35) | KDM4EALDH1A1HSF1GAANPSR1 | |
| SCHEMBL5199693 | 0.71 | MAPT (0.34) | KDM4EALDH1A1HSF1NPSR1MAPK14 | |
| SCHEMBL5204329 | 0.68 | KDM4E (0.39) | KDM4EALDH1A1HSF1MAPK14PDE4A | |
| SCHEMBL3507805 | 0.67 | ALDH1A1 (0.54) | KDM4EALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL3560003 | 0.67 | TSHR (0.43) | KDM4EALDH1A1HTTMEN1KMT2A | |
| SCHEMBL5200407 | 0.67 | KDM4E (0.41) | KDM4EALDH1A1MAPK14SMPD3F10 | |
| SCHEMBL5200333 | 0.66 | KDM4E (0.39) | KDM4EALDH1A1HSF1MAPK14PDE4A | |
| SCHEMBL5199466 | 0.66 | LMNA (0.46) | KDM4EALDH1A1HSF1HTTSMPD3 | |
| SCHEMBL5200449 | 0.65 | BRD4 (0.37) | KDM4EALDH1A1HSF1PDE4APDE4B | |
| SCHEMBL6171373 | 0.65 | ALDH1A1 (0.42) | KDM4EALDH1A1GAAMEN1KMT2A |
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-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |