Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | ADK | P55263 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL3978330 | 0.83 | NISCH (0.45) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8537240 | 0.83 | CYP11B2 (0.48) | NISCH | |
| SCHEMBL5012098 | 0.83 | PDE4A (0.44) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28450350 | 0.81 | NISCH (0.57) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7425938 | 0.79 | NISCH (0.45) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2552798 | 0.79 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DCHEK1 | |
| SCHEMBL2651232 | 0.78 | CSNK1A1 (0.49) | NISCHPDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL5855000 | 0.77 | CSNK1A1 (0.47) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15568925 | 0.74 | NISCH (0.49) | NISCHPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1239841 | 0.74 | ADRA2A (0.46) | NISCHPDE4APDE4BPDE4CPDE4D |
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-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |