Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | PORCN | Q9H237 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6852362 | 0.92 | CYP2C9 (0.49) | CYP2D6CYP2C9CYP19A1CYP2C19MELK | |
| SCHEMBL6880858 | 0.73 | CYP2C9 (0.49) | CYP2D6CYP2C9CYP19A1CYP2C19MELK | |
| SCHEMBL6852370 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP19A1CYP2C19PORCN | |
| SCHEMBL6854186 | 0.72 | CYP1A2 (0.47) | CYP2D6CYP2C9CYP19A1CYP2C19MELK | |
| SCHEMBL6850780 | 0.71 | CYP2D6 (0.49) | CYP2D6CYP2C9CYP19A1CYP2C19PORCN | |
| SCHEMBL6854131 | 0.71 | CYP2D6 (0.49) | CYP2D6MELKALDH1A1MMP2MMP12 | |
| SCHEMBL11541937 | 0.70 | CYP2D6 (0.60) | CYP2D6CYP2C9CYP19A1CYP2C19NPC1 | |
| SCHEMBL6847859 | 0.69 | MELK (0.53) | CYP2D6MELKALDH1A1CYP3A4MMP2 | |
| SCHEMBL6854314 | 0.69 | MKNK1 (0.57) | CYP2D6CYP2C9CYP19A1CYP2C19MELK | |
| SCHEMBL10353034 | 0.69 | RAB9A (0.60) | CYP2D6CYP2C9CYP19A1CYP2C19NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |