Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14868313 | 0.72 | TAS2R38 (0.45) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL28960082 | 0.71 | ALDH1A1 (0.41) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL28899747 | 0.68 | KDM4E (0.44) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Phenylurea SCHEMBL28218284 | 0.68 | GAA (0.68) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL1740828 | 0.67 | ALDH1A1 (0.44) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL2001630 | 0.67 | TAS2R38 (0.46) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| Hydrochloric Acid SCHEMBL31696764 | 0.66 | ALDH1A1 (0.42) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL28899654 | 0.65 | ALDH1A1 (0.38) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL28899663 | 0.65 | ALDH1A1 (0.38) | ALDH1A1TAS2R38HSD17B10TP53TYR | |
| SCHEMBL5344491 | 0.65 | NR3C2 (0.42) | ALDH1A1CA12CA1CA2CA9 |
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-115414480-A | Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme | 德玛医药 | 2022-12-02 | — | — | CN | disclosed |