Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 14/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Cyclohexane Carboxamide SCHEMBL28819715 | 0.91 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9OPRM1 | |
| Cyclohexane Carboxamide SCHEMBL28819590 | 0.91 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9OPRM1 | |
| Cyclohexane Carboxamide SCHEMBL28819682 | 0.90 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9OPRM1 | |
| Cyclohexane Carboxamide SCHEMBL28819611 | 0.90 | NR1H4 (0.59) | NR1H4CYP3A4CYP2D6CYP2C9 | |
| Cyclohexane Carboxamide SCHEMBL28819483 | 0.90 | NR1H4 (0.48) | NR1H4CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL29881223 | 0.88 | PTGER4 (0.45) | NR1H4ALDH1A1 | |
| Cyclohexane Carboxamide SCHEMBL28819722 | 0.86 | NR1H4 (0.44) | NR1H4OPRM1OPRD1OPRK1OGFRL1 | |
| Cyclohexane Carboxamide SCHEMBL28819506 | 0.85 | NR1H4 (0.49) | NR1H4OPRM1OPRD1OPRK1OGFRL1 | |
| Cyclohexane Carboxamide SCHEMBL28819581 | 0.85 | OPRM1 (0.44) | NR1H4OPRM1OPRD1OPRK1OGFRL1 | |
| Cyclohexane Carboxamide SCHEMBL28948656 | 0.84 | NR1H4 (0.43) | NR1H4OPRM1OPRD1OPRK1OGFRL1 |
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 |