Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 4/20 | 0.70 |
| ▸ | MIF | P14174 | 7/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | BACH1 | O14867 | 1/20 | 0.43 |
| ▸ | MAFK | O60675 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Butyl Isothiocyanate SCHEMBL152568 | 0.92 | — | — | |
| Butyl Isothiocyanate SCHEMBL27915601 | 0.90 | — | — | |
| 1-Isothiocyanatopentane SCHEMBL175645 | 0.84 | — | — | |
| SCHEMBL330890 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| 1-Isothiocyanatooctane SCHEMBL331051 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| 1-Isothiocyanatoheptane SCHEMBL330703 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| SCHEMBL3792821 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| SCHEMBL10822521 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| SCHEMBL9831163 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 | |
| SCHEMBL1457042 | 0.82 | NAAA (1.00) | NAAAMIFTRPA1KEAP1NFE2L2 |
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-105218457-A | A kind of preparation method of 3,5,5 '-three replacement-2-thiohydantoin | UNIV SHANDONG | 2016-01-06 | — | — | CN | disclosed |