Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.64 |
| ▸ | MIF | P14174 | 5/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.45 |
| ▸ | BACH1 | O14867 | 2/20 | 0.45 |
| ▸ | MAFK | O60675 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 8/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9919 | 0.88 | — | — | |
| Butyl Isothiocyanate SCHEMBL152568 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8196526 | 0.85 | — | — | |
| Hexane SCHEMBL28217815 | 0.85 | NAAA (0.48) | NAAALMNA | |
| Fluoride SCHEMBL28174258 | 0.85 | — | — | |
| Butyl Isothiocyanate SCHEMBL27915601 | 0.85 | — | — | |
| SCHEMBL3906512 | 0.85 | MIF (0.54) | NAAAMIFKEAP1NFE2L2BACH1 | |
| SCHEMBL332039 | 0.85 | — | — | |
| SCHEMBL332767 | 0.83 | NAAA (0.58) | NAAAMIFKEAP1NFE2L2BACH1 | |
| SCHEMBL3906746 | 0.83 | NAAA (0.58) | NAAAMIFKEAP1NFE2L2BACH1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104746081-B | Functionalization imidazole ion liquid corrosion inhibiter and its preparation method and application | 中国科学院兰州化学物理研究所 | 2017-03-29 | — | — | CN | disclosed |