Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9714889 | 0.83 | ALDH1A1 (0.33) | ALDH1A1HCAR2PDE4D | |
| SCHEMBL13001841 | 0.83 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL928955 | 0.83 | — | — | |
| SCHEMBL1275040 | 0.83 | — | — | |
| SCHEMBL3512235 | 0.78 | — | — | |
| SCHEMBL3512236 | 0.78 | — | — | |
| SCHEMBL16330470 | 0.78 | — | — | |
| SCHEMBL17535444 | 0.78 | — | — | |
| SCHEMBL17535442 | 0.78 | — | — | |
| SCHEMBL1312212 | 0.76 | ALDH1A1 (0.32) | ALDH1A1HCAR2PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0037327-B1 | DERIVATES OF 3-FORMYL-4-METHYLPENTANOIC ACID, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTITUTED 3-FORMYL-BUT-3-EN-1-OIC ACID | ROUSSEL-UCLAF (FR) | 1983-09-28 | — | — | EP | disclosed |