Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851921 | 1.00 | CYP2D6 (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19HDAC4 | |
| SCHEMBL6880009 | 0.81 | CYP2D6 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19HDAC4 | |
| SCHEMBL6880006 | 0.81 | CYP2D6 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19HDAC4 | |
| SCHEMBL6880001 | 0.81 | CYP2D6 (0.43) | CYP2D6CYP19A1CYP2C9CYP2C19HDAC4 | |
| SCHEMBL6847868 | 0.79 | TRPV1 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL6847861 | 0.79 | TRPV1 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL6852058 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP2C9HDAC4NPC1RAB9A | |
| SCHEMBL6852059 | 0.77 | CYP2D6 (0.42) | CYP2D6CYP2C9HDAC4NPC1RAB9A | |
| SCHEMBL11541937 | 0.76 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19HDAC4 | |
| SCHEMBL6851935 | 0.75 | HDAC1 (0.44) | CYP19A1PIM1MAPTHDAC1 |
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 |