Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.60 |
| ▸ | TPO | P07202 | 4/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.54 |
| ▸ | PDE4A | P27815 | 7/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | PNP | P00491 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 SCHEMBL2457259 | 0.89 | MPO (0.53) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1373494 | 0.85 | PDE4A (0.74) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1460898 | 0.83 | PDE4A (0.75) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL562472 | 0.82 | PDE4A (0.69) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1461123 | 0.82 | PDE4A (0.57) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1461128 | 0.80 | PNP (0.62) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1958859 | 0.80 | PDE4A (0.59) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL2458131 | 0.79 | MPO (0.58) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1776521 | 0.79 | MPO (0.61) | MPOTPOADORA2APDE4APDE4B | |
| SCHEMBL1460828 | 0.78 | ADORA2A (0.59) | MPOTPOADORA2APDE4APDE4B |
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 1 patent. 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 | disclosed |