Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 5/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17114986 | 0.87 | MAP4K4 (0.47) | MAP4K4HDAC1GPR119NR1H2CYP11B2 | |
| SCHEMBL17114988 | 0.87 | MAP4K4 (0.47) | MAP4K4HDAC1GPR119NR1H2CYP11B2 | |
| SCHEMBL30882769 | 0.86 | NR1H2 (0.46) | GPR119NR1H2BACE1NR1H3CYP11B2 | |
| SCHEMBL28584377 | 0.86 | NR1H2 (0.46) | GPR119NR1H2BACE1NR1H3CYP11B2 | |
| SCHEMBL25054057 | 0.86 | NR1H2 (0.46) | GPR119NR1H2BACE1NR1H3CYP11B2 | |
| SCHEMBL25054060 | 0.84 | NR1H2 (0.59) | NR1H2BACE1NR1H3CYP11B2ACHE | |
| SCHEMBL30386832 | 0.84 | NR1H2 (0.59) | NR1H2BACE1NR1H3CYP11B2ACHE | |
| SCHEMBL31082592 | 0.84 | CYP11B2 (0.43) | GPR119BACE1CYP11B2ACHE | |
| SCHEMBL13999776 | 0.84 | HDAC1 (0.49) | MAP4K4HDAC1GPR119NR1H2NR1H3 | |
| SCHEMBL3621405 | 0.84 | HDAC1 (0.52) | MAP4K4HDAC1GPR119NR1H2NR1H3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112341396-B | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 四川大学华西医院 | 2022-07-26 | — | — | CN | disclosed |
| CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 四川大学华西医院 | 2021-02-09 | — | — | CN | disclosed |