Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CCND1 | P24385 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24638523 | 0.95 | ESR1 (0.40) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL24638522 | 0.94 | ESR1 (0.42) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26337479 | 0.92 | ESR1 (0.40) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26337490 | 0.91 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26339943 | 0.90 | ESR1 (0.43) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26337572 | 0.90 | CYP1A2 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26337567 | 0.90 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26337487 | 0.90 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL26339914 | 0.90 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL9963803 | 0.90 | ESR1 (0.40) | ESR1ESR2HSD17B1HSD17B2CYP1A2 |
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-11417843-B2 | Organic electroluminescence device and amine compound for organic electroluminescence device | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-08-16 | — | — | US | disclosed |