Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852553 | 1.00 | CYP3A4 (0.39) | CYP3A4ALDH1A1RECQLKDM4ECYP1A2 | |
| SCHEMBL6854147 | 0.78 | KDM4E (0.33) | CYP3A4KDM4ECYP1A2MAPTCYP2C9 | |
| SCHEMBL6847783 | 0.75 | ALDH1A1 (0.43) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL6847776 | 0.75 | ALDH1A1 (0.43) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL6879785 | 0.75 | — | — | |
| SCHEMBL6879790 | 0.75 | — | — | |
| SCHEMBL6848024 | 0.74 | LTA4H (0.44) | CYP3A4ALDH1A1RECQL | |
| SCHEMBL6848028 | 0.74 | LTA4H (0.44) | CYP3A4ALDH1A1RECQL | |
| SCHEMBL6850822 | 0.74 | BRD4 (0.42) | ALDH1A1KDM4EMAPT | |
| SCHEMBL27594260 | 0.72 | CA1 (0.30) | — |
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 |