Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Xanthine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.79 |
| ▸ | ACHE | P22303 | 1/20 | 0.79 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 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 | |
|---|---|---|---|---|
| Xanthine SCHEMBL389887 | 0.98 | GDA (0.82) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL3514682 | 0.98 | GDA (0.82) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL1507586 | 0.91 | GDA (0.96) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL27923402 | 0.91 | GDA (0.96) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL2352524 | 0.89 | GDA (1.00) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL4965 | 0.89 | GDA (1.00) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL29669592 | 0.89 | GDA (1.00) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL31048830 | 0.87 | GDA (0.96) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL31152020 | 0.87 | GDA (0.96) | GDAACHEABL1RIN1ADORA2B | |
| Xanthine SCHEMBL31488667 | 0.87 | GDA (0.96) | GDAACHEABL1RIN1ADORA2B |
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-102077966-A | Complex nutritional flavorous enhancer | DONGGUAN BAIWEIJIA FOOD CO LTD | 2011-06-01 | — | — | CN | disclosed |