Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | PDE4A | P27815 | 9/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.48 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28752598 | 0.93 | ATAD2 (0.53) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL7022545 | 0.79 | ADORA2B (0.57) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL9807157 | 0.79 | ATAD2 (0.64) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL5005966 | 0.75 | ADORA2A (0.62) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL9351699 | 0.75 | ADORA2B (0.55) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL10441214 | 0.74 | ADORA2B (0.51) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL18127709 | 0.71 | ADORA2B (0.50) | ATAD2ADORA2BADORA3PDE4APDE4B | |
| SCHEMBL5935784 | 0.71 | ADORA3 (0.61) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL9354344 | 0.70 | ADORA2B (0.47) | ADORA2BADORA3PDE4APDE4BPDE4C | |
| SCHEMBL24700880 | 0.69 | ATAD2 (0.57) | ATAD2ADORA2BADORA3PDE4APDE4B |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105687199-A | MPO inhibitors for the treatment of huntington's disease and multiple system atrophy | 阿斯利康(瑞典)有限公司 | 2016-06-22 | — | — | CN | claimed |
| CN-103638029-A | MPO inhibitors for the treatment of huntington's disease and multiple system atrophy | ASTRAZENECA AB | 2014-03-19 | — | — | CN | claimed |
| CN-101062037-B | Process for their preparation of thioxanthine derivatives, their use | ASTRAZENECA AB | 2011-05-25 | — | — | CN | claimed |
| CN-101873857-A | MPO inhibitors for the treatment of Huntington's disease and multiple system atrophy | ASTRAZENECA AB | 2010-10-27 | — | — | CN | claimed |
| CN-100379737-C | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2008-04-09 | — | — | CN | claimed |
| CN-101062037-A | Thioxanthine derivatives, process for their preparation (variants), their use and composition containing them | ASTRAZENECA AB (SE) | 2007-10-31 | — | — | CN | claimed |
| CN-1646531-A | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2005-07-27 | — | — | CN | claimed |
| CN-105687199-A | MPO inhibitors for the treatment of huntington's disease and multiple system atrophy | 阿斯利康(瑞典)有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-103638029-A | MPO inhibitors for the treatment of huntington's disease and multiple system atrophy | ASTRAZENECA AB | 2014-03-19 | — | — | CN | disclosed |
| CN-101062037-B | Process for their preparation of thioxanthine derivatives, their use | ASTRAZENECA AB | 2011-05-25 | — | — | CN | disclosed |
| CN-101873857-A | MPO inhibitors for the treatment of Huntington's disease and multiple system atrophy | ASTRAZENECA AB | 2010-10-27 | — | — | CN | disclosed |
| CN-100379737-C | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2008-04-09 | — | — | CN | disclosed |
| CN-101062037-A | Thioxanthine derivatives, process for their preparation (variants), their use and composition containing them | ASTRAZENECA AB (SE) | 2007-10-31 | — | — | CN | disclosed |
| CN-1646531-A | Thioxanthine derivatives as myeloperoxidase inhibitors | ASTRAZENECA AB (SE) | 2005-07-27 | — | — | CN | disclosed |