Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16503 | 0.88 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL16505 | 0.88 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL25405178 | 0.88 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL25405174 | 0.88 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL16504 | 0.88 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL29229538 | 0.87 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL832203 | 0.85 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL21955999 | 0.85 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2ALDH1A1TSHR | |
| SCHEMBL779039 | 0.80 | — | — | |
| SCHEMBL1695596 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5140052-A | Using a tertiary amine as a dicarbonate decomposition catalyst along with water as a promoter in foam-producing systems at environmental temperatures | AKZO N.V. (NL) | 1992-08-18 | — | — | US | disclosed |
| US-5030664-A | Combining with a tertiary amine decomposition catalyst to produce carbon dioxide in polyurethanes | AKZO N.V. (NL) | 1991-07-09 | — | — | US | disclosed |