Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.77 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.77 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.52 |
| ▸ | PDE4A | P27815 | 7/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 1-Methylxanthine SCHEMBL10996 | 0.88 | ADORA2B (1.00) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 3-Methylxanthine SCHEMBL237146 | 0.88 | ADORA2A (0.64) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 3-Methylxanthine SCHEMBL30753411 | 0.86 | ADORA2A (0.62) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 3-Methylxanthine SCHEMBL9317914 | 0.86 | ADORA2A (0.62) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 3-Methylxanthine SCHEMBL4020124 | 0.86 | ADORA2A (0.62) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 1-Methylxanthine SCHEMBL9682658 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 1-Methylxanthine SCHEMBL27529726 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 1-Methylxanthine SCHEMBL28309011 | 0.86 | ADORA2B (0.96) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| Theophylline Anhydrous SCHEMBL1128138 | 0.86 | ADORA2A (0.77) | ADORA2BADORA2AATAD2ADORA3PDE4A | |
| 1-Methylxanthine SCHEMBL16859909 | 0.84 | ADORA2B (0.79) | ADORA2BADORA2AATAD2ADORA3PDE4A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180251854-A1 | Method For Predicting Therapy Responsiveness In Basal Like Tumors | WIRTZ RALPH MARKUS (DE) | 2018-09-06 | — | — | US | disclosed |
| US-9932639-B2 | Method for predicting therapy responsiveness in basal like tumors | WIRTZ RALPH MARKUS (DE) | 2018-04-03 | — | — | US | disclosed |
| CN-102264235-A | Food product fortified with methylxanthines | — | 2011-11-30 | — | — | CN | disclosed |
| EP-2369939-A2 | FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES | Unilever PLC (GB) | 2011-10-05 | — | — | EP | disclosed |
| US-20110118129-A1 | METHOD FOR PREDICTING THERAPY RESPONSIVENESS IN BASAL LIKE TUMORS | Wirtz, Ralph Markus (DE) | 2011-05-19 | — | — | US | disclosed |
| EP-2215251-A2 | METHOD FOR PREDICTING THERAPY RESPONSIVENESS IN BASAL LIKE TUMORS | Siemens Healthcare Diagnostics GmbH (DE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2010076112-A2 | FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES | UNILEVER PLC (GB) | 2010-07-08 | — | — | WO | disclosed |
| WO-2009068423-A2 | METHOD FOR PREDICTING THERAPY RESPONSIVENESS IN BASAL LIKE TUMORS | SIEMENS HEALTHCARE DIAGNOSTICS GMBH (DE) | 2009-06-04 | — | — | WO | disclosed |