Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733586 | 0.82 | ACACB (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7738088 | 0.78 | CA12 (0.41) | HSD11B1CA12CA1CA2CA9 | |
| SCHEMBL7741631 | 0.78 | MAOA (0.43) | HSD11B1HSD17B3CA1CA2MAOA | |
| SCHEMBL3194018 | 0.75 | FFAR1 (0.34) | HSD11B1 | |
| SCHEMBL5851079 | 0.74 | HTR6 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3197743 | 0.73 | NPC1 (0.36) | — | |
| SCHEMBL7741642 | 0.72 | CYP19A1 (0.33) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3203856 | 0.71 | AR (0.34) | HSD11B1CA1CA2CA9 | |
| SCHEMBL5850133 | 0.71 | KMT2A (0.40) | CA12CA1CA2CA9 | |
| SCHEMBL3193372 | 0.71 | PTGDR2 (0.35) | HSD11B1HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6416928-B1 | HALOGENONIUM OR SULFONIUM SALTS OF SULFONATED DIPHENYLALKANE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2002-07-09 | — | — | US | disclosed |