Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL576030 | 1.00 | CES2 (0.41) | CES2CES1BCHEAPOBEC3GMEN1 | |
| SCHEMBL29722735 | 0.87 | MAPT (0.50) | CES2CES1BCHEAPOBEC3GMEN1 | |
| SCHEMBL775909 | 0.87 | MAPT (0.50) | CES2CES1BCHEAPOBEC3GMEN1 | |
| SCHEMBL29723042 | 0.85 | CES2 (0.35) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL776548 | 0.85 | CES2 (0.35) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL576234 | 0.83 | NOTUM (0.42) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL30452252 | 0.83 | NOTUM (0.42) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL778358 | 0.80 | CXCR2 (0.36) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL29722866 | 0.80 | CXCR2 (0.36) | CES2CES1BCHENOTUMCXCR2 | |
| SCHEMBL2699555 | 0.79 | CES2 (0.38) | CES2CES1BCHENOTUMCXCR2 |
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-115911573-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-04-04 | — | — | CN | disclosed |