Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 11/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23936564 | 0.97 | PDK2 (0.32) | PDK2HSD17B1HSD17B2CYP1A2CYP3A4 | |
| SCHEMBL23936247 | 0.96 | L3MBTL1 (0.33) | PDK2HSD17B1HSD17B2CYP1A2CYP3A4 | |
| SCHEMBL23936415 | 0.87 | ALDH1A1 (0.35) | PDK2CYP1A2CYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL23936734 | 0.87 | ESR1 (0.37) | PDK2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL23936189 | 0.87 | TERT (0.31) | — | |
| SCHEMBL23936030 | 0.85 | HSD17B1 (0.35) | HSD17B1HSD17B2ESR1ESR2CYP1A2 | |
| SCHEMBL24274810 | 0.84 | PDK2 (0.33) | PDK2HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL23936349 | 0.84 | ALDH1A1 (0.34) | PDK2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23936545 | 0.83 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL23936642 | 0.83 | L3MBTL1 (0.35) | HSD17B1HSD17B2ESR1ESR2CYP1A2 |
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-20210328150-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2021-10-21 | — | — | US | disclosed |