Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28561226 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL21258320 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL21258105 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22779156 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6852202 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL21258294 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22779101 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3447723 | 0.74 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL15733106 | 0.73 | PDE10A (0.71) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22769339 | 0.73 | LPL (0.45) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |
| EP-1453847-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003050132-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-06-19 | — | — | WO | disclosed |