Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152981 | 0.90 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL28008276 | 0.87 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL9705831 | 0.84 | CYP2D6 (0.50) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL3053099 | 0.84 | F2 (0.58) | CYP3A4CYP2D6CYP2C19ALDH1A1F2 | |
| SCHEMBL29756083 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL27466587 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL27499894 | 0.81 | HDAC3 (0.48) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2HDAC3 | |
| SCHEMBL7708867 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL9068100 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 | |
| SCHEMBL28008650 | 0.78 | F2 (0.48) | CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294589-A | Antiviral drug and preparation method therefor | ZHU JINGHUA | 2016-02-03 | — | — | CN | disclosed |
| CN-105237526-A | Anti-HIV drug and preparation method therefor | ZHU JINGHUA | 2016-01-13 | — | — | CN | disclosed |