Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL8079183 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL41205 | 0.87 | — | — | |
| SCHEMBL27917720 | 0.87 | — | — | |
| Propionitrile SCHEMBL27811106 | 0.86 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| Water SCHEMBL28759975 | 0.85 | — | — | |
| SCHEMBL5690 | 0.84 | — | — | |
| SCHEMBL8198721 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL6832820 | 0.82 | — | — | |
| SCHEMBL25180981 | 0.82 | — | — | |
| SCHEMBL180630 | 0.82 | — | — |
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-116217459-A | Xanthate derivatization reagent and preparation method and application thereof | 西北大学 | 2023-06-06 | — | — | CN | disclosed |