Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.51 |
| ▸ | ATR | Q13535 | 2/20 | 0.51 |
| ▸ | BTK | Q06187 | 6/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | TYK2 | P29597 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL789511 | 0.91 | SMN1; SMN2 (0.59) | NPC1RAB9AMAPK14ATR | |
| SCHEMBL789721 | 0.91 | MAPK14 (0.51) | NPC1RAB9AMAPK14BTK | |
| SCHEMBL790553 | 0.91 | ATR (0.49) | NPC1RAB9AMAPK14ATRJAK2 | |
| SCHEMBL807273 | 0.85 | ALDH1A1 (0.53) | NPC1RAB9AJAK2JAK1JAK3 | |
| SCHEMBL789670 | 0.83 | PI4KA (0.51) | NPC1RAB9A | |
| Formic Acid SCHEMBL790534 | 0.82 | ALDH1A1 (0.50) | JAK2JAK1JAK3 | |
| SCHEMBL790535 | 0.80 | PI4KA (0.41) | MAPK14ATRBTKJAK2JAK1 | |
| SCHEMBL789915 | 0.80 | RAB9A (0.50) | NPC1RAB9ABTK | |
| SCHEMBL789696 | 0.80 | JAK2 (0.48) | NPC1RAB9AJAK2 | |
| SCHEMBL790400 | 0.76 | PI4KA (0.48) | ATRJAK2DGAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |