Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | HPGD | P15428 | 7/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.65 |
| ▸ | CASP1 | P29466 | 6/20 | 0.65 |
| ▸ | CASP7 | P55210 | 6/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.65 |
| ▸ | GAA | P10253 | 5/20 | 0.65 |
| ▸ | GLA | P06280 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.65 |
| ▸ | STAT6 | P42226 | 1/20 | 0.65 |
| ▸ | ERAP1 | Q9NZ08 | 4/20 | 0.64 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Esculetin SCHEMBL1707171 | 0.84 | ALDH1A1 (0.69) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| Esculetin SCHEMBL165749 | 0.84 | ALDH1A1 (0.69) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| Water SCHEMBL6264865 | 0.83 | ERAP1 (0.53) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| SCHEMBL5050924 | 0.81 | KDM4E (0.47) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| SCHEMBL7021286 | 0.81 | KDM4E (0.47) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| SCHEMBL8849070 | 0.81 | KDM4E (0.47) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| SCHEMBL11206518 | 0.81 | KDM4E (0.47) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| Esculin SCHEMBL20179973 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| Esculin SCHEMBL13096298 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ECASP1CASP7 | |
| Esculin SCHEMBL8035285 | 0.79 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ECASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0111211-A1 | Immunoassay for nonenzymatically glucosylated proteins and protein fragments - an index of glycemia | MILES LABORATORIES, INC. (US) | 1984-06-20 | — | — | EP | disclosed |