Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL106555 | 0.86 | CES1 (0.47) | CES2CES1 | |
| Bromide SCHEMBL9716135 | 0.84 | CES1 (0.46) | CES2CES1 | |
| SCHEMBL4579630 | 0.83 | CES1 (0.42) | CES2CES1 | |
| SCHEMBL3394492 | 0.81 | CES1 (0.49) | CES2CES1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2922536 | 0.81 | KCNH2 (0.37) | KCNH2CES2CES1 | |
| Trifluoromethanesulfonic Acid SCHEMBL3088978 | 0.80 | RECQL (0.42) | KCNH2CES1RECQLPOLBNPSR1 | |
| SCHEMBL107173 | 0.80 | CES1 (0.50) | CES2CES1 | |
| SCHEMBL106336 | 0.80 | CES1 (0.50) | CES2CES1 | |
| Bromide SCHEMBL8757443 | 0.79 | CES1 (0.49) | CES2CES1 | |
| Trifluoromethanesulfonic Acid SCHEMBL7863371 | 0.78 | KCNH2 (0.45) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0305041-B1 | PREPARATION OF IODONIUM AND SULFONIUM TRIFLATES | International Business Machines Corporation (US) | 1992-01-02 | — | — | EP | disclosed |
| EP-0305041-A1 | Preparation of iodonium and sulfonium triflates | International Business Machines Corporation (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4786441-A | REACTING TRIMETHYLSILYL TRIFLATE WITH IODONIUM OR SULFONIUM HALIDE | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1988-11-22 | — | — | US | disclosed |