Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.61 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.61 |
| ▸ | JUN | P05412 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.49 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL7003172 | 0.83 | CYP1A2 (0.70) | CYP1A1CYP1B1CYP1A2NFE2L2CA12 | |
| SCHEMBL5252418 | 0.83 | CYP1A1 (0.66) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL1547729 | 0.81 | CYP1A1 (0.63) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL6631188 | 0.79 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL1792533 | 0.79 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL29392394 | 0.79 | ALDH1A1 (0.71) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL11874692 | 0.79 | CYP1A1 (0.79) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL172939 | 0.79 | ALDH1A1 (0.71) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL11874684 | 0.79 | CYP1A1 (0.79) | CYP1A1CYP1B1CYP1A2NFE2L2JUN | |
| SCHEMBL7374565 | 0.79 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2NFE2L2JUN |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |