Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8612686 | 0.89 | MTOR (0.45) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8537574 | 0.87 | CSNK1A1 (0.47) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8537355 | 0.81 | CSNK1A1 (0.43) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8539363 | 0.80 | CSNK1A1 (0.42) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL6538599 | 0.79 | TAAR1 (0.54) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8537907 | 0.79 | CSNK1A1 (0.46) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| Hydrochloric Acid SCHEMBL10338404 | 0.78 | TAAR1 (0.53) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8537087 | 0.78 | CSNK1A1 (0.45) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL8535623 | 0.78 | CSNK1A1 (0.40) | ALDH1A1HPGDNPSR1MTORADK | |
| SCHEMBL8539546 | 0.77 | MTOR (0.45) | CYP2D6CYP1A2CYP2C19CYP2C9CYP3A4 |
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 |