Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 7/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.42 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30020352 | 0.85 | HSD17B1 (0.57) | CYP1A2ESR1ESR2ALOX5CTDSP1 | |
| SCHEMBL2848482 | 0.83 | ALDH1A1 (0.54) | CYP1A2ESR1ESR2ALOX5KDM4E | |
| SCHEMBL25829126 | 0.83 | ALDH1A1 (0.46) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| SCHEMBL7918997 | 0.82 | ESR1 (0.56) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| SCHEMBL18880010 | 0.82 | ALDH1A1 (0.52) | CYP1A2ESR1ESR2ALOX5KDM4E | |
| SCHEMBL3786709 | 0.79 | ALDH1A1 (0.48) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| SCHEMBL12696272 | 0.78 | ALOX5 (0.57) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| SCHEMBL5502280 | 0.77 | ESR1 (0.53) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| SCHEMBL30730877 | 0.77 | ESR1 (0.53) | CYP1A2ESR1ESR2ALOX5HSD17B1 | |
| Biphenyl SCHEMBL15641894 | 0.77 | CYP1A2 (0.81) | CYP1A2ESR1ESR2CTDSP1HSD17B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102659504-B | Organic electric-field light-emitting element, display unit and lighting device | JNC CORPORATION (JP) | 2016-05-04 | — | — | CN | disclosed |
| CN-102659504-A | Emission layer material, organic electroluminescence element, display device and lighting device | JNC CORP | 2012-09-12 | — | — | CN | disclosed |