Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3562986 | 1.00 | NR1H4 (0.77) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3566956 | 0.87 | NR1H4 (0.75) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3571836 | 0.87 | NR1H4 (1.00) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3571838 | 0.87 | NR1H4 (1.00) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3558344 | 0.86 | NR1H4 (0.98) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3562594 | 0.86 | NR1H4 (0.79) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL29880900 | 0.86 | NR1H4 (0.79) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3558342 | 0.85 | NR1H4 (0.96) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3573957 | 0.84 | NR1H4 (0.86) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3562147 | 0.83 | NR1H4 (0.72) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 |
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-110404073-B | Methods and pharmaceutical compositions for treating hepatitis B virus infection | 国家医疗保健研究所 | 2022-08-16 | — | — | CN | disclosed |