Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | NCF1 | P14598 | 2/20 | 0.64 |
| ▸ | NQO2 | P16083 | 4/20 | 0.60 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | ELANE | P08246 | 2/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL27895835 | 1.00 | CYP2C19 (0.66) | CYP2C19NCF1NQO2SLC2A1NR4A2 | |
| Iodide SCHEMBL6297962 | 0.99 | CYP2C19 (0.64) | CYP2C19NCF1NQO2SLC2A1NR4A2 | |
| SCHEMBL22390054 | 0.94 | CYP2C19 (0.73) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| Quindecamine SCHEMBL2111177 | 0.94 | CYP2C19 (0.73) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| SCHEMBL15923206 | 0.92 | NCF1 (0.63) | CYP2C19NCF1NQO2SLC2A1NR4A2 | |
| SCHEMBL11934982 | 0.87 | CYP2C19 (0.64) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| SCHEMBL8685979 | 0.87 | CYP2C19 (0.77) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| Quindecamine SCHEMBL190923 | 0.86 | NQO2 (0.69) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| SCHEMBL14588165 | 0.86 | NQO2 (0.65) | CYP2C19NCF1NQO2SLC2A1OPRK1 | |
| SCHEMBL28506410 | 0.84 | SLC2A1 (0.57) | CYP2C19SLC2A1NR4A2ELANE |
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-104981249-B | Antimicrobe compound, their synthesis and its application | 英国卫生部 | 2018-06-19 | — | — | CN | disclosed |