Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.45 |
| ▸ | BLM | P54132 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| 7-Methylxanthine SCHEMBL235130 | 0.87 | GDA (1.00) | GDAALDH1A1PMP22BLMCYP3A4 | |
| 7-Methylxanthine SCHEMBL31071477 | 0.87 | GDA (1.00) | GDAALDH1A1PMP22BLMCYP3A4 | |
| SCHEMBL4560085 | 0.87 | GDA (0.53) | GDAALDH1A1PMP22BLMCYP3A4 | |
| 7-Methylxanthine SCHEMBL31071476 | 0.87 | GDA (1.00) | GDAALDH1A1PMP22BLMCYP3A4 | |
| SCHEMBL10998 | 0.87 | GDA (0.53) | GDAALDH1A1PMP22BLMCYP3A4 | |
| 7-Methylxanthine SCHEMBL28591758 | 0.87 | GDA (1.00) | GDAALDH1A1PMP22BLMCYP3A4 | |
| 7-Methylxanthine SCHEMBL1495254 | 0.80 | GDA (0.77) | GDAALDH1A1PMP22BLMCYP3A4 | |
| Caffeine SCHEMBL1044373 | 0.77 | ADORA2B (0.64) | GDAPMP22BLMCYP3A4LMNA | |
| Paraxanthine SCHEMBL28735832 | 0.77 | CYP3A4 (0.79) | GDAALDH1A1PMP22BLMCYP3A4 | |
| 7-Methylxanthine SCHEMBL15670710 | 0.75 | GDA (0.74) | GDAALDH1A1PMP22BLMCYP3A4 |
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-2369939-A2 | FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES | Unilever PLC (GB) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010076112-A2 | FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES | UNILEVER PLC (GB) | 2010-07-08 | — | — | WO | disclosed |