Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 17/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 10/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 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 | |
|---|---|---|---|---|
| SCHEMBL670524 | 0.81 | PTGS2 (0.40) | PTGS2PTGS1ALOX5NOTUMRARA | |
| SCHEMBL5657768 | 0.80 | PTGS2 (0.39) | PTGS2PTGS1ALOX5NOTUMRARA | |
| SCHEMBL25188734 | 0.80 | PTGS2 (0.39) | PTGS2PTGS1ALOX5RARARARB | |
| SCHEMBL5785095 | 0.78 | ALDH1A1 (0.42) | PTGS2PTGS1ALOX5RARBRARG | |
| SCHEMBL6593328 | 0.78 | PTGS2 (0.62) | PTGS2PTGS1ALOX5 | |
| SCHEMBL694320 | 0.77 | PTGS2 (0.36) | PTGS2PTGS1ALOX5NOTUM | |
| SCHEMBL30287207 | 0.74 | PTGS1 (0.36) | PTGS2PTGS1ALOX5NOTUMRARB | |
| SCHEMBL5658865 | 0.74 | PTGS2 (0.34) | PTGS2PTGS1ALOX5NOTUM | |
| SCHEMBL1390674 | 0.71 | RARB (0.53) | PTGS2PTGS1ALOX5NOTUMRARA | |
| SCHEMBL15653833 | 0.67 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014121695-A1 | NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | 镇江新元素医药科技有限公司 (CN) | 2014-08-14 | — | — | WO | disclosed |