Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL6881212 | 0.87 | CYP2A6 (0.42) | CYP2A6CYP3A4PGRHSD17B3KCNA3 | |
| SCHEMBL5046429 | 0.76 | CDC14B (0.32) | — | |
| SCHEMBL6875856 | 0.76 | GLA (0.44) | CYP2A6CYP3A4CA1CA9CA2 | |
| SCHEMBL6878901 | 0.75 | GAA (0.38) | CYP3A4PGRHSD17B3CA1CA9 | |
| Hydrogen Sulfide SCHEMBL6868834 | 0.72 | CYP2A6 (0.49) | CYP2A6CYP3A4KCNA3CA1CA9 | |
| SCHEMBL6880971 | 0.72 | CYP2A6 (0.41) | CYP2A6CA1CA9CA12LMNA | |
| SCHEMBL1593373 | 0.70 | TRPA1 (0.34) | CA1CA2 | |
| Benzenethiol SCHEMBL29745974 | 0.69 | CA2 (0.39) | CA1CA2 | |
| SCHEMBL15842333 | 0.67 | CYP2A6 (0.50) | CYP2A6CYP3A4PGRHSD17B3CA1 | |
| SCHEMBL1594212 | 0.66 | TRPA1 (0.35) | CYP3A4CYP1A2 |
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-1481973-A1 | HETEROCYCLE-BEARING ONIUM SALTS | Wako Pure Chemical Industries, Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |