Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.32 |
| ▸ | PRKACA | P17612 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6877288 | 1.00 | CYP2D6 (0.45) | CYP2D6ALDH1A1CYP3A4RECQLHDAC4 | |
| SCHEMBL6852658 | 0.80 | HDAC3 (0.46) | CYP2D6ALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL6852650 | 0.80 | HDAC3 (0.46) | CYP2D6ALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL6852499 | 0.79 | CYP17A1 (0.47) | CYP2D6ALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL6852489 | 0.79 | CYP17A1 (0.47) | CYP2D6ALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL6847848 | 0.78 | CYP2D6 (0.45) | CYP2D6CYP3A4HDAC4CAMKK2MAPT | |
| SCHEMBL6230887 | 0.77 | CYP2D6 (0.45) | CYP2D6ALDH1A1CYP3A4RECQLHDAC4 | |
| SCHEMBL6230889 | 0.77 | CYP2D6 (0.45) | CYP2D6ALDH1A1CYP3A4RECQLHDAC4 | |
| SCHEMBL6756228 | 0.77 | MAPT (0.44) | CYP2D6ALDH1A1CYP3A4HDAC4CAMKK2 | |
| SCHEMBL6756229 | 0.77 | MAPT (0.44) | CYP2D6ALDH1A1CYP3A4HDAC4CAMKK2 |
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 |