Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.54 |
| ▸ | CA1 | P00915 | 8/20 | 0.54 |
| ▸ | CA9 | Q16790 | 8/20 | 0.54 |
| ▸ | CA12 | O43570 | 7/20 | 0.54 |
| ▸ | CA4 | P22748 | 5/20 | 0.54 |
| ▸ | CA6 | P23280 | 5/20 | 0.54 |
| ▸ | CA5A | P35218 | 5/20 | 0.54 |
| ▸ | CA7 | P43166 | 5/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.54 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.51 |
| ▸ | ITGAL | P20701 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099561 | 0.84 | CA1 (0.56) | CA2CA1CA9CA12CA4 | |
| SCHEMBL8107832 | 0.82 | CA12 (0.53) | CA2CA1CA9CA12CA4 | |
| SCHEMBL2395796 | 0.79 | PDE7A (0.45) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4575696 | 0.79 | PTGS1 (0.56) | CA2CA1CA9CA12ITGB2 | |
| SCHEMBL8091331 | 0.78 | CA1 (0.49) | CA2CA1CA9CA12CA4 | |
| SCHEMBL6598358 | 0.77 | CA2 (0.42) | CA2CA1CA9CA12CA4 | |
| SCHEMBL8107827 | 0.77 | CA2 (0.48) | CA2CA1CA9CA12ITGB2 | |
| SCHEMBL8098906 | 0.77 | PTGS1 (0.43) | CA2CA1CA9CA12ITGB2 | |
| SCHEMBL8099469 | 0.76 | CA2 (0.63) | CA2CA1CA9 | |
| SCHEMBL8101068 | 0.76 | PTGS1 (0.43) | CA2CA1CA9CA12ITGB2 |
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-0848703-B1 | DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II | NYCOMED AUSTRIA GMBH (AT) | 2000-09-27 | — | — | EP | disclosed |
| US-6004948-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION | NYCOMED AUSTRIA GMBH (AT) | 1999-12-21 | — | — | US | disclosed |