Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.43 |
| ▸ | TPO | P07202 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PNP | P00491 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2279000 | 0.86 | MPO (0.55) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL4251233 | 0.79 | MPO (0.48) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL4254517 | 0.77 | MPO (0.47) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL4246904 | 0.74 | MPO (0.42) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL27745079 | 0.67 | PDE4A (0.52) | MPOTPOCYP3A4KCNH2ADORA3 | |
| SCHEMBL27766132 | 0.66 | MPO (0.50) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL1373494 | 0.64 | PDE4A (0.74) | MPOTPOADORA3PDE4AADORA2A | |
| SCHEMBL1461128 | 0.64 | PNP (0.62) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2288047 | 0.63 | MPO (0.62) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL5339918 | 0.63 | MPO (0.41) | MPOTPOCYP3A4KCNH2SMN1; SMN2 |
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 |