Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.51 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.49 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.49 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 6/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682654 | 0.98 | PNP (0.56) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL1898182 | 0.77 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL27496341 | 0.76 | GDA (0.62) | PNPGDAXDH | |
| SCHEMBL29793761 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL8230113 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| Xanthine SCHEMBL29180270 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL94917 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL612168 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| SCHEMBL612210 | 0.73 | PNP (0.62) | PNPALDH1A1GDAGRIA1GRIA2 | |
| Guanine SCHEMBL1264884 | 0.73 | PNP (1.00) | PNPALDH1A1GDAGRIA1GRIA2 |
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-0938587-A1 | PORTABLE APPARATUS AND METHOD FOR DETECTION OF METHYLXANTHINE CHEMICAL SPECIES | Coffee Chek, Inc. (US) | 1999-09-01 | — | — | EP | disclosed |
| WO-1996040984-A1 | PORTABLE APPARATUS AND METHOD FOR DETECTION OF METHYLXANTHINE CHEMICAL SPECIES | COFFEE CHEK, INC. (US) | 1996-12-19 | — | — | WO | disclosed |