Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 15/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 7/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6854070 | 0.81 | HDAC3 (0.41) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6847768 | 0.80 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6879818 | 0.80 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL19745884 | 0.79 | CYP2A6 (0.56) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL29854440 | 0.78 | CYP2A6 (0.73) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6852407 | 0.77 | PIK3CD (0.33) | CYP2C19CYP2C9CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL6854136 | 0.74 | DYRK1A (0.58) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL3900804 | 0.74 | HDAC1 (0.41) | HDAC1KDM4EMAPT | |
| SCHEMBL9200850 | 0.72 | CYP2A6 (0.66) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL3902476 | 0.71 | KDM4E (0.60) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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 |