Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | HSF1 | Q00613 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | ADK | P55263 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199466 | 0.72 | LMNA (0.46) | BRD4HSF1NISCHALDH1A1KDM4E | |
| SCHEMBL5201542 | 0.70 | FFAR1 (0.39) | NISCHHCRTR1HCRTR2ALDH1A1FFAR1 | |
| SCHEMBL30307673 | 0.69 | SLC6A3 (0.41) | ALDH1A1 | |
| SCHEMBL5201190 | 0.68 | MAPK14 (0.33) | HCRTR1HCRTR2ALDH1A1KDM4E | |
| SCHEMBL9026316 | 0.68 | NISCH (0.50) | BRD4HSF1NISCHALDH1A1KDM4E | |
| SCHEMBL5201877 | 0.68 | NUDT1 (0.35) | BRD4NISCHALDH1A1KDM4EADORA2A | |
| SCHEMBL5200348 | 0.68 | NISCH (0.34) | BRD4HSF1NISCHHCRTR1HCRTR2 | |
| SCHEMBL5200333 | 0.67 | KDM4E (0.39) | BRD4HSF1NISCHHCRTR1HCRTR2 | |
| SCHEMBL5204329 | 0.66 | KDM4E (0.39) | BRD4HSF1NISCHHCRTR1HCRTR2 | |
| SCHEMBL875422 | 0.66 | NOS2 (0.40) | — |
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 |