Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | NCF1 | P14598 | 2/20 | 0.61 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 4/20 | 0.51 |
| ▸ | ACP1 | P24666 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GALR3 | O60755 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22390054 | 0.86 | CYP2C19 (0.73) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| Quindecamine SCHEMBL2111177 | 0.86 | CYP2C19 (0.73) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| SCHEMBL3341185 | 0.84 | SLC2A1 (0.75) | SLC2A1ACP1 | |
| Quindecamine SCHEMBL190923 | 0.81 | NQO2 (0.69) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| SCHEMBL7502940 | 0.81 | CYP2C19 (0.66) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| SCHEMBL27895835 | 0.81 | CYP2C19 (0.66) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| Hydrochloric Acid SCHEMBL899167 | 0.81 | CYP2C19 (0.70) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| SCHEMBL28223102 | 0.81 | CYP2C19 (0.66) | CYP2C19NCF1OPRK1SLC2A1NQO2 | |
| SCHEMBL23029669 | 0.80 | NCF1 (0.84) | CYP2C19NCF1SLC2A1NQO2ACP1 | |
| SCHEMBL11934982 | 0.80 | CYP2C19 (0.64) | CYP2C19NCF1OPRK1SLC2A1NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010089341-A1 | NOVEL VANCOMYCIN-AMINOQUINOLINE HYBRID MOLECULES THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS | PALUMED S.A. (FR) | 2010-08-12 | — | — | WO | disclosed |