Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347264 | 0.87 | GSR (0.59) | GSRNPC1ADAM17ALDH1A1HTT | |
| SCHEMBL28350596 | 0.78 | GSR (0.46) | GSRNPC1ADAM17HTTACP3 | |
| SCHEMBL28881900 | 0.76 | GSR (0.47) | GSRIDO1TDO2ALDH1A1PTGS1 | |
| SCHEMBL28350770 | 0.75 | GSR (0.46) | GSRNPC1ADAM17ALDH1A1MEN1 | |
| SCHEMBL28350897 | 0.74 | GSR (0.43) | GSRNPC1ADAM17IDO1TDO2 | |
| SCHEMBL28374975 | 0.69 | ALDH1A1 (0.41) | IDO1TDO2ALDH1A1HPGDHTT | |
| SCHEMBL28158483 | 0.66 | ALDH1A1 (0.55) | NPC1IDO1ALDH1A1HPGDHTT | |
| SCHEMBL28047729 | 0.65 | GSR (0.71) | GSRNPC1ADAM17ALDH1A1HTT | |
| SCHEMBL27319378 | 0.64 | GSR (0.69) | GSRNPC1ADAM17ALDH1A1PTGS1 | |
| SCHEMBL28215784 | 0.64 | GSR (0.69) | GSRNPC1ADAM17ALDH1A1HTT |
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-107973819-B | beta-phosphorylated nitrate compound and preparation method thereof | 烟台大学 | 2019-12-17 | — | — | CN | disclosed |