Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28046500 | 1.00 | CYP2C9 (0.57) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL7749748 | 0.87 | CYP2C9 (0.57) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL7749751 | 0.87 | CYP2C9 (0.57) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8368674 | 0.85 | CYP2C9 (0.56) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8368672 | 0.85 | CYP2C9 (0.56) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL11940463 | 0.85 | CYP2C9 (0.58) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL25724298 | 0.85 | CYP2C9 (0.62) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL11205882 | 0.84 | ALDH1A1 (0.56) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL111170 | 0.84 | ALDH1A1 (0.56) | CYP2C9ALDH1A1GAATSHRL3MBTL1 | |
| SCHEMBL111169 | 0.84 | ALDH1A1 (0.56) | CYP2C9ALDH1A1GAATSHRL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778188-A | Preparation method of alternaria tenuifolia keto acid and derivatives thereof | 安徽农业大学 | 2021-05-11 | — | — | CN | disclosed |
| CN-105145577-A | Application of sulfur derivatives of pyrrolinones | UNIV NANJING AGRICULTURAL | 2015-12-16 | — | — | CN | disclosed |