Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851757 | 1.00 | CYP3A4 (0.52) | CYP3A4ALDH1A1RECQLABCG2RHOA | |
| SCHEMBL12133817 | 0.81 | CYP3A4 (0.44) | CYP3A4ALDH1A1ABCG2MAPTNPC1 | |
| SCHEMBL6852633 | 0.80 | ALDH1A1 (0.50) | CYP3A4ALDH1A1RECQLRHOAMAPT | |
| SCHEMBL3149307 | 0.80 | NPC1 (0.60) | CYP3A4ALDH1A1RECQLRHOAMAPT | |
| SCHEMBL4105395 | 0.80 | NPC1 (0.60) | CYP3A4ALDH1A1RECQLRHOAMAPT | |
| SCHEMBL6852642 | 0.80 | ALDH1A1 (0.50) | CYP3A4ALDH1A1RECQLRHOAMAPT | |
| SCHEMBL12132442 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1ABCG2MAPTNPC1 | |
| SCHEMBL6254942 | 0.75 | MEN1 (0.51) | CYP3A4ALDH1A1ABCG2MAPTNPC1 | |
| SCHEMBL6254948 | 0.75 | MEN1 (0.51) | CYP3A4ALDH1A1ABCG2MAPTNPC1 | |
| SCHEMBL6854668 | 0.75 | CYP3A4 (0.47) | CYP3A4ALDH1A1ABCG2MAPTNPC1 |
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 |