Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 4/20 | 0.45 |
| ▸ | TPO | P07202 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4321197 | 0.92 | MPO (0.51) | NPC1MPOTPOKCNH2CYP3A4 | |
| SCHEMBL4461189 | 0.89 | MPO (0.44) | NPC1MPOTPOKCNH2CYP3A4 | |
| SCHEMBL4504602 | 0.85 | MAPT (0.51) | KCNH2MAPTALDH1A1KDM4EGAA | |
| SCHEMBL4459189 | 0.80 | MPO (0.49) | NPC1MPOTPOKCNH2CYP3A4 | |
| SCHEMBL4455014 | 0.78 | PDE4A (0.54) | MPOTPOKCNH2CYP3A4MAPT | |
| SCHEMBL4460074 | 0.78 | PDE4A (0.44) | MPOTPOKCNH2CYP3A4MAPK1 | |
| SCHEMBL4457887 | 0.76 | PDE4B (0.39) | MPOTPOKCNH2CYP3A4GAA | |
| SCHEMBL4473827 | 0.76 | KDM4E (0.51) | NPC1MPOTPOMAPTALDH1A1 | |
| SCHEMBL4465222 | 0.76 | MAPT (0.43) | KCNH2MAPTALDH1A1KDM4EGAA | |
| SCHEMBL4502590 | 0.72 | MAPT (0.39) | MAPTALDH1A1KDM4EGAAAPOBEC3G |
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 |