Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 7/20 | 0.51 |
| ▸ | TPO | P07202 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | PDE4A | P27815 | 3/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL31025166 | 0.95 | MPO (0.47) | MPOTPOCYP3A4KCNH2ADORA2A | |
| Trifluoroacetic Acid SCHEMBL2283491 | 0.95 | MPO (0.47) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL4041168 | 0.86 | MPO (0.53) | MPOTPOCYP3A4KCNH2ADORA2A | |
| Trifluoroacetic Acid SCHEMBL2284280 | 0.85 | MPO (0.48) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL2281089 | 0.82 | MPO (0.56) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL2283546 | 0.82 | MPO (0.57) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL2278995 | 0.81 | MPO (0.52) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL2289950 | 0.79 | MPO (0.55) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL2287788 | 0.76 | MPO (0.52) | MPOTPOCYP3A4KCNH2ADORA2A | |
| SCHEMBL4166941 | 0.76 | MPO (0.60) | MPOTPOCYP3A4KCNH2ADORA2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010535-B1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | ASTRAZENECA AB (SE) | 2012-07-11 | — | — | EP | claimed |
| EP-2200616-A1 | MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY | AstraZeneca AB (SE) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009025617-A1 | COMBINATIONS CONTAINING MPO INHIBITORS AGAINST NEUROINFLAMMATORY DISORDERS | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |
| WO-2009025618-A1 | MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | WO | disclosed |
| EP-2010535-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120098-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |