Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28294655 | 0.88 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetic Acid SCHEMBL28211505 | 0.86 | ALDH1A1 (0.48) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| SCHEMBL5690 | 0.83 | — | — | |
| SCHEMBL8198721 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| SCHEMBL1071060 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| SCHEMBL25184387 | 0.80 | — | — | |
| SCHEMBL6404006 | 0.80 | — | — | |
| SCHEMBL6228085 | 0.80 | — | — | |
| SCHEMBL21693721 | 0.80 | — | — | |
| SCHEMBL41205 | 0.80 | — | — |
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-109622236-A | A kind of secondary copper sulfide mineral flotation collector and its synthetic method and application | 福州大学 | 2019-04-16 | — | — | CN | disclosed |