Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | KCNK2 | O95069 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
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) | GSRCYP2C19CYP3A4NPC1MEN1 | |
| SCHEMBL28350770 | 0.80 | GSR (0.46) | GSRNPC1MEN1KMT2AADAM17 | |
| SCHEMBL28347265 | 0.78 | GSR (0.46) | GSRACP3SLC6A4SLC6A2NPC1 | |
| SCHEMBL28347506 | 0.76 | GSR (0.47) | GSRACP3CYP2C19TP53CYP3A4 | |
| SCHEMBL28350897 | 0.74 | GSR (0.43) | GSRACP3CYP2C19CYP3A4NPC1 | |
| SCHEMBL28047729 | 0.65 | GSR (0.71) | GSRCYP3A4CNR2NPC1MEN1 | |
| SCHEMBL27319378 | 0.64 | GSR (0.69) | GSRSLC6A4NPC1MEN1KMT2A | |
| SCHEMBL28215784 | 0.64 | GSR (0.69) | GSRACP3CNR2NPC1MEN1 | |
| SCHEMBL30266040 | 0.64 | ACP3 (0.53) | ACP3CYP2C19TP53CYP3A4CYP2C9 | |
| SCHEMBL9803273 | 0.63 | GSR (0.67) | GSRNPC1CYP2D6KMT2ALMNA |
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 |