Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | ATP4A | P20648 | 1/20 | 0.39 |
| ▸ | ATP4B | P51164 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11808150 | 0.83 | BCL2 (0.44) | ALDH1A1KEAP1MPOATP4AATP4B | |
| SCHEMBL3264814 | 0.83 | MPO (0.47) | ALDH1A1ALOX15HIF1AMPOIDO1 | |
| SCHEMBL11821187 | 0.83 | PNMT (0.42) | ALDH1A1MPOIDO1ATP4AATP4B | |
| SCHEMBL1354441 | 0.83 | ALDH1A1 (0.52) | ALDH1A1KEAP1MPOIDO1AGXT | |
| SCHEMBL11778004 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KEAP1MPOIDO1AGXT | |
| SCHEMBL24394689 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1MPOIDO1AGXT | |
| SCHEMBL15597740 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1MPOIDO1AGXT | |
| SCHEMBL5293147 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1MPOIDO1AGXT | |
| Hydrochloric Acid SCHEMBL2446106 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1MPOIDO1AGXT | |
| SCHEMBL1548511 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KEAP1IDO1AGXTATP4A |
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 |
|---|---|---|---|---|---|---|---|
| US-6596838-B1 | Electrodialysis, electroosmosis, reverse osmosis | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2003-07-22 | — | — | US | disclosed |