Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL19783636 | 1.00 | ALDH1A1 (0.32) | ALDH1A1PPARAHSD17B1HSD17B2NPC1 | |
| SCHEMBL19783109 | 0.82 | NSD1 (0.42) | ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL30189877 | 0.82 | NSD1 (0.42) | ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL30189893 | 0.82 | ALDH1A1 (0.38) | ALDH1A1PPARANPC1RAB9AGAA | |
| SCHEMBL21395608 | 0.82 | ALDH1A1 (0.38) | ALDH1A1PPARANPC1RAB9AGAA | |
| SCHEMBL21395618 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL19783616 | 0.74 | APP (0.34) | ALDH1A1NPC1 | |
| SCHEMBL28941102 | 0.73 | KDM4E (0.42) | ALDH1A1GAA | |
| SCHEMBL19783217 | 0.73 | CYP3A4 (0.43) | ALDH1A1NPC1RAB9AGAA | |
| SCHEMBL30189784 | 0.73 | CYP3A4 (0.43) | ALDH1A1NPC1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |