Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | PKLR | P30613 | 1/20 | 0.52 |
| ▸ | CPT2 | P23786 | 5/20 | 0.50 |
| ▸ | CPT1A | P50416 | 5/20 | 0.50 |
| ▸ | RORC | P51449 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | CPT1B | Q92523 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28615098 | 0.88 | NR1H3 (0.62) | NR1H3CPT2CPT1ARORCNR1H2 | |
| SCHEMBL28626649 | 0.84 | NR1H3 (0.56) | NR1H3PKMPKLRRORCNR1H2 | |
| SCHEMBL30110984 | 0.83 | PKM (0.62) | NR1H3PKMPKLRRORCNR1H2 | |
| SCHEMBL755717 | 0.82 | CPT1A (0.76) | CPT2CPT1ARORCCPT1B | |
| SCHEMBL2002466 | 0.82 | CYP11B1 (0.48) | NR1H3PKMPKLRCPT2CPT1A | |
| SCHEMBL27848105 | 0.79 | CPT1A (0.57) | PKMPKLRCPT2CPT1ACPT1B | |
| SCHEMBL24286390 | 0.78 | PKM (0.57) | NR1H3PKMPKLRRORCPOLB | |
| SCHEMBL24286266 | 0.78 | PKM (0.57) | NR1H3PKMPKLRCPT2CPT1A | |
| SCHEMBL24286271 | 0.77 | PKM (0.54) | NR1H3PKMPKLRRORCNR1H2 | |
| SCHEMBL751492 | 0.76 | CPT1A (0.80) | CPT2CPT1ARORCCPT1B |
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 |