Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19475188 | 0.83 | CYP17A1 (0.36) | CYP17A1CYP3A4CYP2C9CYP2C19HDAC8 | |
| SCHEMBL18622148 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL18641395 | 0.73 | HDAC8 (0.37) | CYP17A1CYP3A4CYP2C9CYP2C19HDAC8 | |
| SCHEMBL19475219 | 0.73 | — | — | |
| SCHEMBL6976768 | 0.68 | TAAR1 (0.34) | CYP17A1CYP3A4CYP2C9CYP2C19HDAC8 | |
| SCHEMBL19475260 | 0.68 | HDAC8 (0.33) | CYP17A1CYP3A4CYP2C9CYP2C19HDAC8 | |
| SCHEMBL7402820 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL18667487 | 0.65 | HDAC8 (0.31) | HDAC8 | |
| SCHEMBL15979325 | 0.64 | ALOX5 (0.30) | HDAC8ALOX5 | |
| SCHEMBL4740952 | 0.63 | CYP2C9 (0.35) | CYP17A1CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106068265-A | Dihydropyridone MGAT2 inhibitors for the treatment of metabolic disorders | 百时美施贵宝公司 | 2016-11-02 | — | — | CN | disclosed |