Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | LSS | P48449 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8534724 | 0.85 | LSS (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8538842 | 0.84 | LSS (0.48) | CYP3A4LSSKMT2AHTTPDCD1 | |
| SCHEMBL9523895 | 0.83 | CYP2C19 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8534755 | 0.82 | LSS (0.46) | CYP3A4LSSKMT2AHTTPDCD1 | |
| SCHEMBL9589824 | 0.81 | EPHX2 (0.46) | CYP3A4LSSKMT2AHTTPDCD1 | |
| SCHEMBL8535112 | 0.81 | HTR2A (0.54) | CYP3A4LSSKMT2AHTTPDCD1 | |
| SCHEMBL9589831 | 0.79 | LSS (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8534116 | 0.78 | LSS (0.49) | CYP2D6CYP2C19CYP3A4LSSKMT2A | |
| SCHEMBL8539476 | 0.77 | QPCTL (0.44) | CYP3A4LSSKMT2AHTTPDCD1 | |
| SCHEMBL8539477 | 0.77 | QPCTL (0.44) | CYP3A4LSSKMT2AHTTPDCD1 |
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-0537201-B1 | 1-[4-(IMIDAZOL-1-YL)BENZOYL]PIPERIDINE DERIVATIVES AS ANTIARRHYTHMIC AGENTS | SCHERING AG (DE) | 1998-11-18 | — | — | EP | disclosed |
| US-5189036-A | Cardiovascular agents; class III antiarrhythmic agents | SCHERING AG (DE) | 1993-02-23 | — | — | US | disclosed |