Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.59 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | CA9 | Q16790 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.59 |
| ▸ | CA4 | P22748 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 13/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4802122 | 0.79 | CA2 (0.55) | CA2CA1CA9CA12CA14 | |
| SCHEMBL6019009 | 0.76 | CA2 (1.00) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1066580 | 0.76 | CA2 (1.00) | CA2CA1CA9CA12CA14 | |
| SCHEMBL4263174 | 0.76 | PTGS2 (0.72) | CA2CA9CA12PTGS1PTGS2 | |
| SCHEMBL11303324 | 0.75 | TTR (0.42) | CA2CA1PTGS2 | |
| SCHEMBL14273878 | 0.74 | CA2 (0.56) | CA2CA1CA9CA12CA14 | |
| SCHEMBL6721732 | 0.71 | CA12 (0.70) | CA2CA1CA9CA12PTGS1 | |
| SCHEMBL13743069 | 0.71 | KIF11 (0.65) | CA2CA1CA9CA12PTGS1 | |
| SCHEMBL2309130 | 0.70 | CA2 (0.56) | CA2CA1CA9CA12CA14 | |
| SCHEMBL6027183 | 0.70 | CA1 (0.46) | CA2CA1CA9CA12PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3262028-B1 | N-(4-HYDROXY-4-METHYL-CYCLOHEXYL)-4-PHENYL-BENZENESULFONAMIDE AND N-(-4HYDROXY-4-METHYL-CYCLOHEXYL)-4-(2-PYRIDYL)-BENZENESULFONAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | PIMCO 2664 LTD (GB) | 2021-10-27 | — | — | EP | disclosed |