Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 6/20 | 0.39 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA9 | Q16790 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4319628 | 0.84 | ALOX5 (0.40) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL4489173 | 0.81 | NSD2 (0.42) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL4492543 | 0.79 | GAA (0.61) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL4316275 | 0.79 | NSD2 (0.43) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL4499372 | 0.74 | NSD2 (0.39) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL9954597 | 0.73 | CA12 (0.64) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL4456420 | 0.71 | MPO (0.42) | ALOX5NSD2DRD2DRD3TDP2 | |
| SCHEMBL16705239 | 0.66 | NSD2 (0.64) | ALOX5NSD2DRD2DRD3NOTUM | |
| SCHEMBL6977553 | 0.66 | KDM4E (0.67) | CA12CA1CA2CA9GAA | |
| SCHEMBL16812366 | 0.64 | NSD2 (0.47) | ALOX5NSD2DRD2DRD3NOTUM |
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 |