Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5200333 | 0.88 | KDM4E (0.39) | KDM4EALDH1A1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL5200348 | 0.78 | NISCH (0.34) | ALDH1A1NISCHHCRTR1HCRTR2SMPD3 | |
| SCHEMBL5199466 | 0.69 | LMNA (0.46) | KDM4EALDH1A1NISCHSMPD3BRD4 | |
| SCHEMBL5202337 | 0.68 | KDM4E (0.36) | KDM4EALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL8283628 | 0.67 | CYP19A1 (0.39) | KDM4EALDH1A1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL5201640 | 0.66 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL5200449 | 0.66 | BRD4 (0.37) | KDM4EALDH1A1PDE4APDE4BPDE4C | |
| SCHEMBL5200407 | 0.65 | KDM4E (0.41) | KDM4EALDH1A1MAPK14SMPD3SMO | |
| SCHEMBL9026316 | 0.65 | NISCH (0.50) | KDM4EALDH1A1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL23772037 | 0.63 | NISCH (0.44) | KDM4EALDH1A1PDE4APDE4BPDE4C |
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 |