Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 3/20 | 0.61 |
| ▸ | RORC | P51449 | 2/20 | 0.61 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28626649 | 0.87 | NR1H3 (0.56) | NR1H3RORCNR1H2NPC1SCN9A | |
| SCHEMBL28615098 | 0.83 | NR1H3 (0.62) | NR1H3RORCNR1H2NPC1MAPT | |
| SCHEMBL24286266 | 0.78 | PKM (0.57) | NR1H3RORCNR1H2NPC1MAPT | |
| SCHEMBL16948433 | 0.77 | CYP11B1 (0.62) | NR1H3RORCNR1H2MAPTCYP11B1 | |
| SCHEMBL4561797 | 0.77 | NR1H3 (0.56) | NR1H3RORCNR1H2NPC1PKM | |
| SCHEMBL1633443 | 0.74 | NPC1 (0.53) | NR1H3RORCNR1H2NPC1PKM | |
| SCHEMBL28843028 | 0.73 | RORC (0.58) | NR1H3RORCNR1H2NPC1MAPT | |
| SCHEMBL30110984 | 0.72 | PKM (0.62) | NR1H3RORCNR1H2NPC1MAPT | |
| SCHEMBL28156683 | 0.72 | MAPT (0.58) | NR1H3RORCNR1H2MAPTSCN9A | |
| SCHEMBL28616978 | 0.71 | SPR (0.41) | RORCSCN9A |
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-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 广东东阳光药业有限公司 | 2021-07-16 | — | — | CN | disclosed |