Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL30899602 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL29205315 | 0.78 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL29205337 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL16923563 | 0.71 | NR2E1 (0.42) | CYP1A2CYP2D6TSHRCASP1 | |
| SCHEMBL620014 | 0.70 | — | — | |
| SCHEMBL22143673 | 0.68 | MKNK1 (0.52) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL29205317 | 0.68 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL6757787 | 0.67 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL6756743 | 0.64 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6HPGDHIF1A | |
| SCHEMBL9198455 | 0.62 | — | — |
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-117999075-A | Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof | 吉斯莫治疗股份有限公司 | 2024-05-07 | — | — | CN | disclosed |