Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.44 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL475119 | 0.85 | CES2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL422332 | 0.83 | ALDH1A1 (0.62) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30519391 | 0.81 | CES2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2477164 | 0.81 | CES2 (0.50) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3023134 | 0.81 | CES2 (0.53) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL496324 | 0.79 | GAA (0.54) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30518051 | 0.79 | CES2 (0.72) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL937022 | 0.79 | CES2 (0.72) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL11143987 | 0.79 | CES2 (0.52) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27966822 | 0.79 | CES2 (0.52) | CES2KDM4EALDH1A1HPGDHSD17B10 |
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-116874441-A | Flexible aryl formamide derivative containing 1,2, 4-oxadiazole as well as preparation method and application thereof | 贵州大学 | 2023-10-13 | — | — | CN | disclosed |
| WO-2023288253-A1 | SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-01-19 | — | — | WO | disclosed |