Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 Propionate SCHEMBL11874983 | 0.89 | ALDH1A1 (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL181426 | 0.87 | — | — | |
| Ethyl Propionate SCHEMBL1332690 | 0.87 | — | — | |
| Ethyl Propionate SCHEMBL4883389 | 0.87 | — | — | |
| Ethyl Propionate SCHEMBL16045 | 0.87 | — | — | |
| Ethyl Propionate SCHEMBL1868177 | 0.87 | GAA (0.67) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29367851 | 0.85 | NAAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL21768151 | 0.85 | NAAA (0.64) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL21647321 | 0.85 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| Ethyl Propionate SCHEMBL25183273 | 0.84 | — | — |
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-104649879-B | Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application | 中国人民解放军第二军医大学 | 2017-01-04 | — | — | CN | disclosed |