Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5972487 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HCAR2KEAP1NFE2L2TSHR | |
| Butadiene SCHEMBL9312044 | 0.94 | ALDH1A1 (0.35) | ALDH1A1HCAR2KEAP1NFE2L2 | |
| Acrylic Acid SCHEMBL10969190 | 0.91 | HCAR2 (0.35) | ALDH1A1HCAR2KEAP1NFE2L2 | |
| SCHEMBL2260103 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HCAR2TSHR | |
| SCHEMBL11813430 | 0.79 | HCAR2 (0.38) | ALDH1A1HCAR2TSHR | |
| Acrylonitrile SCHEMBL35882 | 0.77 | ALDH1A1 (0.34) | ALDH1A1TSHR | |
| Acrylonitrile SCHEMBL8018394 | 0.77 | HCAR2 (0.41) | ALDH1A1HCAR2TSHR | |
| SCHEMBL28053784 | 0.77 | ALDH1A1 (0.65) | ALDH1A1HCAR2KEAP1NFE2L2TSHR | |
| SCHEMBL9453892 | 0.76 | TSHR (0.48) | ALDH1A1HCAR2TSHR | |
| Mecrylate SCHEMBL8465653 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HCAR2KEAP1NFE2L2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-8399698-B1 | Substituted activated methylene reagents and methods of using such reagents to form electron deficient olefins | HENKEL IRELAND LIMITED (DE) | 2013-03-19 | — | — | US | disclosed |