Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.48 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.48 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL784958 | 0.84 | CYP3A4 (0.64) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL13655584 | 0.83 | CYP3A4 (0.53) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL12254525 | 0.69 | CYP3A4 (0.72) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL15998080 | 0.66 | CYP3A4 (0.76) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL784787 | 0.66 | CYP3A4 (0.76) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL12966803 | 0.66 | CYP3A4 (0.71) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL13655659 | 0.66 | CYP3A4 (0.59) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL14183200 | 0.66 | CYP3A4 (0.90) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL9968998 | 0.66 | CYP3A4 (0.73) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 | |
| SCHEMBL14183155 | 0.66 | CYP3A4 (0.88) | CYP3A4ABCC4ABCB11CYP3A5PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7601695-B2 | 11-N-[4-(4-Pyridin-3-yl-imidazol-1-yl)-butyl]-6-O-methyl-5-O-(3-dimethylamino-2-hydroxy-propoxy)-3-oxo-erythronolide A, 11,12-carbamate; functionalized macrolides; antiviral, antiprotozoal, anticancer and antigastrointestinal | OPTIMER PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |