Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 10/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3635635 | 0.89 | GAA (0.55) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| SCHEMBL163118 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| Methane SCHEMBL11835947 | 0.80 | CTSD (0.48) | ALDH1A1GAAMAPTCTSDKDM4E | |
| Methane SCHEMBL9753979 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| Fluoride SCHEMBL31633802 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| SCHEMBL28629293 | 0.77 | ALDH1A1 (0.62) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| Methyl Alcohol SCHEMBL28274485 | 0.77 | ALDH1A1 (0.61) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| Methane SCHEMBL1286316 | 0.76 | ALDH1A1 (0.67) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| Diphenylamine SCHEMBL6483484 | 0.75 | HSD17B10 (0.63) | ALDH1A1TSHRTAS2R38HSD17B10TP53 | |
| SCHEMBL2885482 | 0.75 | GAA (0.67) | ALDH1A1TSHRTAS2R38HSD17B10GAA |
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-111548292-A | Synthesis method and application of heavy metal trapping agent N-methyl-N-phenyl amino sodium dithioformate | 青岛中科荣达新材料有限公司 | 2020-08-18 | — | — | CN | disclosed |