Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 16/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18857498 | 0.76 | GAA (0.42) | PTGS1PTGS2CA1CA2CA12 | |
| SCHEMBL11594018 | 0.73 | CA12 (0.40) | PTGS1PTGS2CA1CA2CA12 | |
| SCHEMBL28812325 | 0.72 | PTGS1 (0.70) | PTGS1PTGS2 | |
| SCHEMBL18854020 | 0.70 | CA12 (0.41) | PTGS1PTGS2CA1CA2CA12 | |
| Phenylsulfamide SCHEMBL7425147 | 0.70 | CA1 (0.79) | CA1CA2CA12CA9 | |
| SCHEMBL19439099 | 0.69 | CA2 (0.52) | CA1CA2CA12CA9CA14 | |
| SCHEMBL16068103 | 0.68 | GAA (0.58) | PTGS1PTGS2 | |
| SCHEMBL8557857 | 0.68 | PTGS1 (0.39) | PTGS1PTGS2 | |
| Toluene SCHEMBL8967252 | 0.67 | ALOX12 (0.52) | CA1CA2CA12CA9CA14 | |
| Toluene SCHEMBL664006 | 0.67 | ALOX12 (0.65) | CA1CA2CA12CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744355-A | Method for preparing torasemide and derivative thereof | NANJING CHANGAO PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO LTD | 2015-07-01 | — | — | CN | disclosed |