Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GSDMD | P57764 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17266169 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL28610205 | 0.88 | ALDH1A1 (0.45) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL28921730 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL28612628 | 0.84 | ALDH1A1 (0.61) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL28613001 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL17266170 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL28615605 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL35692 | 0.76 | — | — | |
| SCHEMBL28623571 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP2C9HPGDHSD17B10CA12 | |
| SCHEMBL476515 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113304887-A | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2021-08-27 | — | — | CN | claimed |
| CN-113304887-B | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2022-05-31 | — | — | CN | disclosed |
| CN-113304887-A | Amino xanthate sulfide ore collecting agent and preparation method and application thereof | 北京矿冶研究总院 | 2021-08-27 | — | — | CN | disclosed |