Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.59 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | ADK | P55263 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| Dimethyl Sulfoxide SCHEMBL27877985 | 0.81 | NISCH (0.58) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL722191 | 0.80 | NISCH (0.78) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL27729782 | 0.78 | NISCH (0.54) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL862114 | 0.78 | NISCH (0.75) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL674010 | 0.75 | NISCH (1.00) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28230038 | 0.73 | NISCH (0.96) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28110769 | 0.73 | NISCH (0.96) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL27451043 | 0.73 | NISCH (0.96) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL27974204 | 0.73 | NISCH (0.96) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28823231 | 0.72 | NISCH (0.67) | NISCHMTORADKALDH1A1KDM4E |
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 |