Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8617533 | 0.85 | CSNK1A1 (0.44) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL8535625 | 0.82 | NISCH (0.49) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL8538833 | 0.80 | JAK2 (0.46) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL8537031 | 0.78 | ADRA2A (0.39) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL8541136 | 0.77 | CYP19A1 (0.39) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL8542501 | 0.73 | NISCH (0.47) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL27729782 | 0.72 | NISCH (0.54) | NISCHMTORADKCYP1A2CYP3A4 | |
| SCHEMBL5148367 | 0.70 | NISCH (0.91) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL3644191 | 0.69 | NISCH (0.74) | NISCHMTORADKCYP1A2CSNK1A1 | |
| SCHEMBL2198284 | 0.68 | NISCH (0.67) | NISCHMTORADKCYP1A2CSNK1A1 |
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 |