Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9533707 | 0.86 | ALDH1A1 (0.34) | ALDH1A1CYP3A4NQO2THRBACHE | |
| SCHEMBL11217567 | 0.77 | NQO2 (0.33) | NQO2 | |
| SCHEMBL9534242 | 0.75 | MEN1 (0.42) | ALDH1A1CYP3A4ACHECASP6 | |
| SCHEMBL11215259 | 0.74 | THRB (0.46) | ALDH1A1CYP3A4NQO2THRBACHE | |
| 2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL1259521 | 0.71 | MMP1 (0.50) | ALDH1A1CYP3A4NQO2 | |
| SCHEMBL6108034 | 0.71 | GAA (0.48) | ALDH1A1CYP3A4NQO2THRBACHE | |
| SCHEMBL11211809 | 0.71 | MEN1 (0.37) | ALDH1A1CYP3A4NQO2THRBACHE | |
| SCHEMBL9534757 | 0.69 | MMP14 (0.33) | ALDH1A1CYP3A4NQO2CASP6 | |
| SCHEMBL9532920 | 0.68 | MAPT (0.38) | ALDH1A1NQO2THRBCASP6 | |
| SCHEMBL9533866 | 0.68 | NQO2 (0.35) | NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0010722-B1 | MONOAZO-COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-04-20 | — | — | EP | disclosed |
| US-4312807-A | HEAT RESISTANT PIGMENTS FOR POLYVINYL CHLORIDE AND POLYETHYLENE | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |
| EP-0010722-A1 | Monoazo-compounds, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-05-14 | — | — | EP | disclosed |