Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3025005 | 0.89 | ESR1 (0.68) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL18287640 | 0.87 | ESR1 (0.59) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL3640977 | 0.85 | TRPA1 (0.48) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL19016860 | 0.84 | ESR1 (0.66) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL21250284 | 0.84 | ESR1 (0.56) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL8357015 | 0.83 | ESR1 (0.69) | ESR1ESR2MAPTKEAP1MEN1 | |
| SCHEMBL30485785 | 0.82 | ESR1 (0.68) | ESR1ESR2MAPTMEN1KMT2A | |
| SCHEMBL1176702 | 0.82 | ESR1 (0.68) | ESR1ESR2MAPTMEN1KMT2A | |
| SCHEMBL29131806 | 0.82 | ESR2 (0.58) | ESR1ESR2MAPTMEN1KMT2A | |
| SCHEMBL8052862 | 0.82 | ESR1 (0.73) | ESR1ESR2MAPTCYP3A4HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109748780-A | The synthetic method of a kind of four poly- benzyl compounds | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |