Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25008914 | 0.93 | ESR1 (0.42) | ESR1ESR2BACE1HSD17B1HSD17B2 | |
| SCHEMBL25008988 | 0.92 | ESR1 (0.44) | ESR1ESR2BACE1HSD17B1HSD17B2 | |
| SCHEMBL15893294 | 0.91 | ALDH1A1 (0.35) | ESR1ESR2HSD17B1HSD17B2CYP1A2 | |
| SCHEMBL13619442 | 0.86 | ESR1 (0.41) | ESR1ESR2HSD17B1HSD17B2CYP11B1 | |
| SCHEMBL24306475 | 0.86 | ALDH1A1 (0.40) | CYP1A2CYP3A4 | |
| SCHEMBL14542750 | 0.86 | ESR1 (0.41) | ESR1ESR2HSD17B1HSD17B2CYP11B1 | |
| SCHEMBL26009909 | 0.85 | HPRT1 (0.40) | CYP1A2CYP3A4 | |
| SCHEMBL27452374 | 0.84 | ANO1 (0.32) | HSD17B1HSD17B2 | |
| SCHEMBL18732907 | 0.83 | MEN1 (0.36) | ESR1HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL18371186 | 0.83 | RXRA (0.36) | ESR1ESR2HSD17B1HSD17B2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024049159-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2024-03-07 | — | — | WO | disclosed |