Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GRK6 | P43250 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2454041 | 0.98 | POLB (0.63) | POLBKMT2AALDH1A1GRK6KDM4E | |
| SCHEMBL9271275 | 0.77 | POLB (0.56) | POLBKMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL1053740 | 0.76 | POLB (0.54) | POLBKMT2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL82673 | 0.76 | POLB (1.00) | POLBKMT2AALDH1A1MEN1TSHR | |
| SCHEMBL8894072 | 0.73 | POLB (0.71) | POLBKMT2AALDH1A1MEN1GAA | |
| SCHEMBL6280961 | 0.69 | POLB (0.68) | POLBKMT2AMEN1 | |
| SCHEMBL15215832 | 0.68 | POLB (0.56) | POLBKMT2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL14351829 | 0.68 | SMN1; SMN2 (0.49) | KMT2AALDH1A1KDM4EMEN1TSHR | |
| SCHEMBL791644 | 0.66 | — | — | |
| SCHEMBL14609406 | 0.65 | POLB (0.53) | POLBKMT2AALDH1A1KDM4ETSHR |
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 |