Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.49 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 8/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Theophylline Anhydrous SCHEMBL4408878 | 0.84 | ATAD2 (0.70) | GDAACHEADORA2AADORA2BATAD2 | |
| Caffeine SCHEMBL2355447 | 0.84 | ADORA2A (0.59) | GDAACHEADORA2AADORA2BATAD2 | |
| 1-Methylxanthine SCHEMBL16859909 | 0.79 | ADORA2B (0.79) | GDAACHEADORA2AADORA2BATAD2 | |
| Xanthine SCHEMBL2352524 | 0.79 | GDA (1.00) | GDAACHEADORA2AADORA2BPDE4A | |
| Xanthine SCHEMBL4965 | 0.79 | GDA (1.00) | GDAACHEADORA2AADORA2BPDE4A | |
| Xanthine SCHEMBL29669592 | 0.79 | GDA (1.00) | GDAACHEADORA2AADORA2BPDE4A | |
| Theophylline Anhydrous SCHEMBL1172658 | 0.79 | CYP1A2 (0.74) | GDAACHEADORA2AADORA2BATAD2 | |
| Xanthine SCHEMBL7044227 | 0.77 | GDA (0.96) | GDAACHEADORA2AADORA2BPDE4A | |
| Xanthine SCHEMBL1507586 | 0.77 | GDA (0.96) | GDAACHEADORA2AADORA2BPDE4A | |
| Xanthine SCHEMBL7044230 | 0.77 | GDA (0.96) | GDAACHEADORA2AADORA2BPDE4A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7662767-B2 | Polynucleotide intercalator interceptors and inhibitors | MATERIALS EVOLUTION AND DEVELOPMENT USA, INC. (US) | 2010-02-16 | — | — | US | disclosed |
| US-20050065335-A1 | Polynucleotide intercalator interceptors and inhibitors | MATERIALS EVOLUTION AND DEVELOPMENT USA, INC | 2005-03-24 | — | — | US | disclosed |
| EP-1318796-A2 | POLYNUCLEOTIDE INTERCALATOR INTERCEPTORS AND INHIBITORS | Lyles, Mark B. (US) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002045707-A2 | POLYNUCLEOTIDE INTERCALATOR INTERCEPTORS AND INHIBITORS | LYLES MARK B (US) | 2002-06-13 | — | — | WO | disclosed |