Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.31 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852195 | 1.00 | CLK4 (0.41) | CLK4ADRB2AOC3MAOACYP2A6 | |
| SCHEMBL6847868 | 0.82 | TRPV1 (0.45) | CYP2A6NPC1RAB9A | |
| SCHEMBL6847861 | 0.82 | TRPV1 (0.45) | CYP2A6NPC1RAB9A | |
| SCHEMBL27594251 | 0.81 | HDAC4 (0.38) | NPC1RAB9AHDAC4MEN1KMT2A | |
| SCHEMBL27613044 | 0.80 | NPC1 (0.40) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL6851935 | 0.78 | HDAC1 (0.44) | CLK4MKNK2DYRK1ACYP3A4 | |
| SCHEMBL6851938 | 0.78 | HDAC1 (0.44) | CLK4MKNK2DYRK1ACYP3A4 | |
| SCHEMBL6869726 | 0.78 | ADRB2 (0.43) | CLK4ADRB2AOC3MAOACYP2A6 | |
| SCHEMBL6879607 | 0.78 | CLK4 (0.39) | CLK4ADRB2AOC3MAOACYP2A6 | |
| SCHEMBL6879603 | 0.78 | CLK4 (0.39) | CLK4ADRB2AOC3MAOACYP2A6 |
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 |