Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 14/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 8/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 7/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852255 | 0.84 | CYP2A6 (0.37) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6854124 | 0.83 | HDAC3 (0.41) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6852131 | 0.80 | CYP2A6 (0.53) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6852026 | 0.79 | KDM4E (0.33) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6848130 | 0.77 | DYRK1A (0.54) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6879818 | 0.76 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL19745884 | 0.76 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL29854440 | 0.74 | CYP2A6 (0.73) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6850738 | 0.74 | DYRK1A (0.54) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6852354 | 0.73 | CYP11B2 (0.57) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1585775-A | 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials | ORTHO MCNEIL PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |
| 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 |