Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.42 |
| ▸ | TPO | P07202 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2283751 | 0.87 | MPO (0.52) | MPOTPOCYP3A4KCNH2KDM4E | |
| SCHEMBL4251233 | 0.77 | MPO (0.48) | MPOTPOCYP3A4KCNH2KDM4E | |
| SCHEMBL1776729 | 0.75 | MPO (0.53) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL1775931 | 0.75 | MPO (0.53) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL1774519 | 0.75 | MPO (0.53) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4254517 | 0.74 | MPO (0.47) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL4248896 | 0.74 | MPO (0.43) | MPOTPOCYP3A4KCNH2KDM4E | |
| SCHEMBL27766132 | 0.72 | MPO (0.50) | MPOTPOCYP3A4KCNH2KDM4E | |
| SCHEMBL4166941 | 0.71 | MPO (0.60) | MPOTPOCYP3A4KCNH2KDM4E | |
| SCHEMBL2288047 | 0.70 | MPO (0.62) | MPOTPOCYP3A4KCNH2KDM4E |
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-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 |