Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 11/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.54 |
| ▸ | MIF | P14174 | 5/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | BACH1 | O14867 | 1/20 | 0.38 |
| ▸ | MAFK | O60675 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 SCHEMBL28493037 | 0.86 | NAAA (0.53) | NAAATRPA1TRPV1MIFKEAP1 | |
| Butyl Isothiocyanate SCHEMBL152568 | 0.84 | — | — | |
| Butyl Isothiocyanate SCHEMBL27915601 | 0.82 | — | — | |
| Butyl Isothiocyanate SCHEMBL28049419 | 0.78 | NAAA (0.70) | NAAATRPA1MIFKEAP1NFE2L2 | |
| 1-Isothiocyanatopentane SCHEMBL175645 | 0.77 | — | — | |
| Butyl Isothiocyanate SCHEMBL4633771 | 0.76 | NAAA (0.55) | NAAATRPA1TRPV1MIFKEAP1 | |
| SCHEMBL1005697 | 0.76 | NAAA (0.38) | NAAATRPA1TRPV1 | |
| 1-Isothiocyanatoheptane SCHEMBL330703 | 0.75 | NAAA (1.00) | NAAATRPA1MIFKEAP1NFE2L2 | |
| SCHEMBL330890 | 0.75 | NAAA (1.00) | NAAATRPA1MIFKEAP1NFE2L2 | |
| SCHEMBL1457042 | 0.75 | NAAA (1.00) | NAAATRPA1MIFKEAP1NFE2L2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3283550-A1 | AMIDINE-GROUP CONTAINING CATALYST | Sika Technology AG (CH) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016166336-A1 | AMIDINE-GROUP CONTAINING CATALYST | SIKA TECHNOLOGY AG (CH) | 2016-10-20 | — | — | WO | disclosed |