Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 17/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3569828 | 1.00 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3558528 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL29881830 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL29880550 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL198965 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL3576255 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL29880834 | 0.93 | NR1H4 (0.64) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3568558 | 0.92 | NR1H4 (0.63) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3568556 | 0.91 | NR1H4 (0.62) | NR1H4CYP3A4KCNH2CYP2D6CYP2C9 | |
| SCHEMBL29880796 | 0.90 | NR1H4 (0.65) | 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 |