Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MELK | Q14680 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16123099 | 0.83 | CYP11B2 (0.57) | MKNK1MKNK2CYP11B2CYP2A6CYP3A4 | |
| SCHEMBL6851735 | 0.81 | MELK (0.46) | CYP11B2CYP2A6ALDH1A1MELK | |
| SCHEMBL30938347 | 0.80 | CYP2A6 (0.67) | CYP2A6CYP3A4CYP1A2ALDH1A1MELK | |
| SCHEMBL2155811 | 0.80 | CYP2A6 (0.67) | CYP2A6CYP3A4CYP1A2ALDH1A1MELK | |
| SCHEMBL6847859 | 0.80 | MELK (0.53) | CYP2A6CYP3A4CYP1A2ALDH1A1MELK | |
| SCHEMBL80946 | 0.80 | CYP1A2 (0.54) | CYP3A4CYP1A2ALDH1A1MELKCYP2C9 | |
| SCHEMBL9672111 | 0.80 | MMP2 (0.50) | CYP3A4CYP1A2ALDH1A1MELKCYP2C9 | |
| SCHEMBL6850799 | 0.77 | CYP11B2 (0.62) | MKNK1MKNK2CYP11B2CYP2A6CYP3A4 | |
| SCHEMBL6852213 | 0.77 | DYRK1A (0.54) | MKNK1MKNK2CYP2A6CYP3A4CYP1A2 | |
| SCHEMBL15450295 | 0.77 | CYP11B2 (0.67) | MKNK1MKNK2CYP11B2CYP2A6CYP3A4 |
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 |