Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | PRKCA | P17252 | 2/20 | 0.30 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22540396 | 0.86 | PADI4 (0.33) | NR1H2NR1H3ALDH1A1HTTNPSR1 | |
| SCHEMBL16624731 | 0.86 | NR1H2 (0.44) | NR1H2NR1H3TACR1PPARGPPARD | |
| SCHEMBL16624709 | 0.81 | ALDH1A1 (0.39) | NR1H2NR1H3ALDH1A1HTTNPSR1 | |
| SCHEMBL21610297 | 0.78 | MAPK1 (0.34) | NR1H2NR1H3PPARGMAPK14PPARD | |
| SCHEMBL2720224 | 0.76 | PADI4 (0.44) | ALDH1A1HTTNPSR1HPGDTACR1 | |
| SCHEMBL20101389 | 0.74 | NR1H2 (0.48) | NR1H2NR1H3PPARGERN1PPARD | |
| SCHEMBL27812375 | 0.68 | ESR1 (0.49) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL2720791 | 0.66 | PADI4 (0.40) | ALDH1A1HTTERN1PADI4MAPK14 | |
| SCHEMBL23365646 | 0.66 | NR1H2 (0.41) | NR1H2NR1H3PPARGPPARDPPARA | |
| SCHEMBL27574942 | 0.65 | MMP12 (0.48) | FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3052107-B1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS AG (CH) | 2018-05-02 | — | — | EP | disclosed |