Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 4/20 | 0.44 |
| ▸ | TPO | P07202 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 6/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | PNP | P00491 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4459189 | 0.91 | MPO (0.49) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4453729 | 0.89 | NPC1 (0.47) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4502590 | 0.84 | MAPT (0.39) | HPGDMAPK1KMT2AALDH1A1 | |
| SCHEMBL4321197 | 0.80 | MPO (0.51) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4455014 | 0.79 | PDE4A (0.54) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4460074 | 0.79 | PDE4A (0.44) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4457887 | 0.77 | PDE4B (0.39) | MPOTPOCYP3A4KCNH2PDE4A | |
| SCHEMBL4461546 | 0.76 | MAPT (0.33) | MAPK1 | |
| SCHEMBL4461553 | 0.76 | MAPT (0.33) | MAPK1 | |
| SCHEMBL4504602 | 0.72 | MAPT (0.51) | KCNH2KMT2AALDH1A1 |
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-2010534-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | AstraZeneca AB (SE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120097-A1 | THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |