Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 3/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4501562 | 0.80 | TOP2A (0.40) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL4316162 | 0.77 | MPO (0.42) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL4461891 | 0.76 | HDAC1 (0.38) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL4463068 | 0.76 | ALDH1A1 (0.50) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL30615630 | 0.69 | AURKA (0.56) | TOP2ATOP2BMAPT | |
| SCHEMBL3523447 | 0.66 | HTR3A (0.49) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL30615331 | 0.66 | DAO (0.47) | CYP11B1CYP11B2HTR3ACHRNB2CHRNA4 | |
| SCHEMBL21463917 | 0.66 | DAO (0.47) | CYP11B1CYP11B2HTR3ACHRNB2CHRNA4 | |
| SCHEMBL20437050 | 0.65 | DDB1 (0.54) | TOP2ATOP2BCYP11B1CYP11B2HTR3A | |
| SCHEMBL28752516 | 0.65 | HSP90AA1 (0.56) | CYP11B1CYP11B2HTR3ACHRNB2CHRNA4 |
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 |