Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.42 |
| ▸ | CA2 | P00918 | 8/20 | 0.42 |
| ▸ | CA9 | Q16790 | 8/20 | 0.42 |
| ▸ | CA12 | O43570 | 7/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8697592 | 0.84 | TGFBR1 (0.42) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL27346293 | 0.79 | CA1 (0.40) | CA1CA2CA9CA12MAPK1 | |
| SCHEMBL22502056 | 0.78 | NAPRT (0.45) | CA1CA2CA9 | |
| SCHEMBL7408121 | 0.77 | HPGDS (0.44) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL7078177 | 0.75 | ALDH1A1 (0.54) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL6564249 | 0.75 | ALDH1A1 (0.54) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL184009 | 0.75 | CA2 (0.46) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL28345482 | 0.75 | ALDH1A1 (0.54) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL29700241 | 0.75 | ALDH1A1 (0.54) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL10732567 | 0.74 | CYP2A6 (0.52) | CA1CA2CA9CA12PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998004260-A1 | SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-02-05 | — | — | WO | claimed |
| CN-1060172-C | Substituted biphenyl sulfonamide endothelin antagonists | BRISTOL MYERS SQUIBB CO (US) | 2001-01-03 | — | — | CN | disclosed |
| CN-1138581-A | Substituted biphenyl sulfonamide endothelin antagonists | BRISTOL MYERS SQUIBB CO (US) | 1996-12-25 | — | — | CN | disclosed |