Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3517315 | 0.91 | CYP2A6 (0.40) | CYP2A6KCNA3CA12CA1CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL3520616 | 0.87 | CYP2A6 (0.37) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL3517596 | 0.84 | CYP2A6 (0.38) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL3522616 | 0.81 | KCNA3 (0.33) | CYP2A6KCNA3 | |
| SCHEMBL15842295 | 0.70 | CA9 (0.53) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL5542888 | 0.69 | CYP2A6 (0.56) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL5038854 | 0.68 | DRD4 (0.54) | CA12CA1CA9CA2CA3 | |
| SCHEMBL11035090 | 0.67 | CYP2A6 (0.55) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL450134 | 0.67 | CA12 (0.60) | CYP2A6KCNA3CA12CA1CA9 | |
| SCHEMBL15842364 | 0.67 | CYP2A6 (0.55) | CYP2A6KCNA3CA12CA1CA9 |
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-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |
| EP-1953149-A2 | A heterocycle-containing onium salt | Wako Pure Chemical Industries, Ltd. (JP) | 2008-08-06 | — | — | EP | disclosed |