Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | POLA1 | P09884 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9449123 | 0.78 | DGAT1 (0.44) | ALDH1A1TSHRDGAT1KEAP1NFE2L2 | |
| SCHEMBL9449125 | 0.78 | DGAT1 (0.44) | ALDH1A1TSHRDGAT1KEAP1NFE2L2 | |
| SCHEMBL2012274 | 0.77 | DGAT1 (0.37) | ALDH1A1DGAT1KEAP1NFE2L2HCAR2 | |
| SCHEMBL2501541 | 0.77 | DGAT1 (0.37) | ALDH1A1DGAT1KEAP1NFE2L2HCAR2 | |
| SCHEMBL11748066 | 0.75 | DGAT1 (0.35) | ALDH1A1TSHRDGAT1 | |
| SCHEMBL11748059 | 0.75 | DGAT1 (0.35) | ALDH1A1TSHRDGAT1 | |
| SCHEMBL13017864 | 0.75 | DGAT1 (0.35) | ALDH1A1TSHRDGAT1 | |
| SCHEMBL12313038 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL11432728 | 0.72 | LMNA (0.37) | DGAT1 | |
| SCHEMBL4954537 | 0.72 | DGAT1 (0.33) | DGAT1KEAP1NFE2L2HCAR2 |
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-4153805-A | REACTING 1-(1-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-EN-1-YL)-3-ALKOXY-3-METHYL-PENT-4-EN-1-YNE WITH AN ALKANOIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4045476-A | CANTHAXANTHIN INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1977-08-30 | — | — | US | disclosed |