Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11175140 | 0.95 | NPSR1 (0.57) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL29732721 | 0.85 | GAA (0.60) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL11815554 | 0.84 | GAA (0.72) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL11175144 | 0.84 | GAA (0.59) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL1107148 | 0.82 | GAA (0.70) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL11550281 | 0.82 | GAA (0.70) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL9267668 | 0.82 | GAA (0.70) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL11539882 | 0.81 | GAA (0.56) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL14402167 | 0.81 | GAA (0.68) | NPSR1GAAKDM4EMAPTPOLB | |
| SCHEMBL10867147 | 0.81 | GAA (0.68) | NPSR1GAAKDM4EMAPTPOLB |
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-108218848-B | Trifluoromethyl pyridine bisoxadiazole (ether) derivative and application thereof | 贵州大学 | 2020-12-18 | — | — | CN | disclosed |