Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 9/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12891425 | 0.91 | CHKA (0.39) | CHKAACHEBCHENT5E | |
| Iodide SCHEMBL2527841 | 0.84 | CHKA (0.40) | CHKAACHEBCHENT5EALDH1A1 | |
| SCHEMBL6398845 | 0.82 | NT5E (0.35) | CHKAACHEBCHENT5E | |
| SCHEMBL20843604 | 0.82 | CHKA (0.46) | CHKAACHEBCHENT5EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6115480 | 0.82 | CHKA (0.46) | CHKAACHEBCHENT5EALDH1A1 | |
| SCHEMBL667064 | 0.81 | CHKA (0.46) | CHKAALDH1A1 | |
| Hydrochloric Acid SCHEMBL28638859 | 0.81 | CHKA (0.33) | CHKAACHEBCHENT5EALDH1A1 | |
| Iodide SCHEMBL13735549 | 0.81 | CA1 (0.43) | CHKAACHEBCHENT5EALDH1A1 | |
| Iodide SCHEMBL2195240 | 0.80 | CHKA (0.44) | CHKAALDH1A1 | |
| Hydrochloric Acid SCHEMBL382999 | 0.80 | ALDH1A1 (0.46) | CHKAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018056902-A1 | IMIDAZOLIUM COMPOUNDS, METHODS OF SYNTHESIS AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2018-03-29 | — | — | WO | disclosed |