Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL6852901 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP3A4RECQLRHOAIRAK4 | |
| SCHEMBL6853980 | 0.83 | KDM4E (0.43) | ALDH1A1CYP3A4RECQLRHOA | |
| SCHEMBL6853984 | 0.83 | KDM4E (0.43) | ALDH1A1CYP3A4RECQLRHOA | |
| SCHEMBL6851976 | 0.78 | CYP19A1 (0.32) | — | |
| SCHEMBL6852127 | 0.76 | PIM2 (0.34) | ALDH1A1CYP3A4RECQL | |
| SCHEMBL6852115 | 0.76 | PIM2 (0.34) | ALDH1A1CYP3A4RECQL | |
| SCHEMBL6876939 | 0.75 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL6876943 | 0.75 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL6851987 | 0.75 | — | — | |
| SCHEMBL6851982 | 0.75 | — | — |
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 |