Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851975 | 1.00 | CYP3A4 (0.37) | CYP3A4PRKACAROCK1GSK3BCYP2D6 | |
| SCHEMBL6851970 | 1.00 | CYP3A4 (0.37) | CYP3A4PRKACAROCK1GSK3BCYP2D6 | |
| SCHEMBL6847755 | 0.84 | CYP3A4 (0.38) | CYP3A4PRKACAROCK1GSK3BCYP2D6 | |
| SCHEMBL6847749 | 0.84 | CYP3A4 (0.38) | CYP3A4PRKACAROCK1GSK3BCYP2D6 | |
| SCHEMBL6880197 | 0.83 | MMP12 (0.39) | CYP3A4PRKACAROCK1 | |
| SCHEMBL6851843 | 0.83 | MMP12 (0.39) | CYP3A4PRKACAROCK1 | |
| SCHEMBL6880201 | 0.83 | MMP12 (0.39) | CYP3A4PRKACAROCK1 | |
| SCHEMBL6876025 | 0.83 | KDM4E (0.36) | CYP2D6GRM5 | |
| SCHEMBL6876032 | 0.83 | KDM4E (0.36) | CYP2D6GRM5 | |
| SCHEMBL6876034 | 0.83 | KDM4E (0.36) | CYP2D6GRM5 |
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 |