Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15998787 | 0.92 | NQO1 (0.47) | NQO1HSD17B1HSD17B2IDO1CYP1A2 | |
| SCHEMBL18644306 | 0.83 | NQO1 (0.38) | NQO1HSD17B1HSD17B2CYP1A2CYP2A6 | |
| SCHEMBL26388789 | 0.82 | IDO1 (0.48) | NQO1IDO1CYP1A2ESR2MEN1 | |
| SCHEMBL19047442 | 0.79 | NQO1 (0.40) | NQO1HSD17B1HSD17B2IDO1CYP1A2 | |
| SCHEMBL11534689 | 0.75 | AHR (0.50) | NQO1CYP1A2ESR2MEN1KMT2A | |
| SCHEMBL26389055 | 0.73 | ESR2 (0.41) | NQO1HSD17B1HSD17B2CYP1A2ESR2 | |
| SCHEMBL25141476 | 0.73 | ESR2 (0.46) | NQO1HSD17B1HSD17B2CYP1A2ESR2 | |
| SCHEMBL15998805 | 0.73 | NQO1 (0.43) | NQO1HSD17B1HSD17B2IDO1CYP1A2 | |
| SCHEMBL1101882 | 0.72 | CYP1A2 (0.68) | HSD17B1HSD17B2IDO1CYP1A2CYP2A6 | |
| SCHEMBL26388816 | 0.71 | NQO1 (0.49) | NQO1HSD17B1HSD17B2IDO1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9598392-B2 | Resist composition, method for forming resist pattern, polyphenolic compound for use in the composition, and alcoholic compound that can be derived therefrom | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-03-21 | — | — | US | disclosed |