Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.76 |
| ▸ | PGR | P06401 | 1/20 | 0.55 |
| ▸ | NR3C2 | P08235 | 5/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | IL1RN | P18510 | 1/20 | 0.45 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL56693 | 0.87 | KEAP1 (1.00) | KEAP1PGRNR3C2PTGS2HPGD | |
| Hydrogen Sulfide SCHEMBL27698561 | 0.85 | KEAP1 (0.95) | KEAP1PGRNR3C2PTGS2HPGD | |
| Fluoride SCHEMBL28258745 | 0.85 | KEAP1 (0.95) | KEAP1PGRNR3C2PTGS2HPGD | |
| Hydrochloric Acid SCHEMBL27365433 | 0.85 | KEAP1 (0.95) | KEAP1PGRNR3C2PTGS2HPGD | |
| SCHEMBL11512295 | 0.85 | KEAP1 (0.95) | KEAP1PGRNR3C2PTGS2HPGD | |
| SCHEMBL1358244 | 0.79 | KEAP1 (0.83) | KEAP1PGRNR3C2PTGS2HPGD | |
| SCHEMBL9479898 | 0.79 | KEAP1 (0.83) | KEAP1PGRNR3C2PTGS2HPGD | |
| Boric Acid SCHEMBL6312485 | 0.79 | KEAP1 (0.83) | KEAP1PGRNR3C2PTGS2HPGD | |
| SCHEMBL9387480 | 0.76 | KEAP1 (0.76) | KEAP1PGRNR3C2PTGS2HPGD | |
| Ethyl Chloride SCHEMBL27421992 | 0.76 | KEAP1 (0.76) | KEAP1PGRNR3C2PTGS2HPGD |
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-101260069-A | Method for preparing nimesulide intermediate 2-phenoxymethanesulphonylaniline | TIANJIN MEDICINE RES INST OF P (CN) | 2008-09-10 | — | — | CN | disclosed |