Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ERN1 | O75460 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.30 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6847768 | 0.84 | CYP2A6 (0.56) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6854124 | 0.82 | HDAC3 (0.41) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6850474 | 0.75 | HSP90AA1 (0.32) | — | |
| SCHEMBL6852026 | 0.75 | KDM4E (0.33) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6854759 | 0.74 | MAPK14 (0.38) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6880927 | 0.72 | HDAC1 (0.41) | — | |
| SCHEMBL6850892 | 0.71 | ERN1 (0.34) | ERN1 | |
| SCHEMBL27956631 | 0.70 | CYP2A6 (0.69) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL25165536 | 0.70 | ATM (0.44) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6852643 | 0.69 | ATM (0.42) | CYP2A6CYP3A4ERN1CYP2D6 |
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 |