Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | CA9 | Q16790 | 9/20 | 0.46 |
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8503381 | 0.94 | PKM (0.42) | CA1CA2CA9CA12PKM | |
| Benzenesulfonamide SCHEMBL8525761 | 0.82 | CA1 (0.48) | CA1CA2CA9CA12PTGS1 | |
| Benzenesulfonamide SCHEMBL8524570 | 0.82 | CA12 (0.48) | CA1CA2CA9CA12PTGS1 | |
| Benzenesulfonamide SCHEMBL8525970 | 0.80 | PTGES2 (0.50) | CA1CA2CA9CA12PTGS1 | |
| Benzenesulfonamide SCHEMBL8525288 | 0.80 | CA12 (0.48) | CA1CA2CA9CA12PTGS1 | |
| SCHEMBL8503384 | 0.78 | CYP2C9 (0.54) | PKMHPGDALDH1A1CYP2C9HSD17B10 | |
| SCHEMBL8504924 | 0.78 | CYP2C9 (0.52) | CA1CA2CA9CA12PKM | |
| SCHEMBL7210432 | 0.76 | PTGS2 (0.67) | CA1CA2CA9CA12PTGS1 | |
| SCHEMBL7210958 | 0.76 | PTGS2 (0.67) | CA1CA2CA9CA12PTGS1 | |
| SCHEMBL8506074 | 0.75 | CYP2C9 (0.52) | PKMHPGDALDH1A1CYP2C9 |
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-0946507-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998025896-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1998-06-18 | — | — | WO | disclosed |