Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29163065 | 1.00 | ESR1 (0.56) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL10179124 | 0.82 | MEN1 (0.44) | ESR1ESR2CYP3A4LMNASLC6A2 | |
| SCHEMBL10178596 | 0.82 | ESR1 (0.36) | ESR1ESR2CYP3A4HPGDSLC6A2 | |
| SCHEMBL31618446 | 0.81 | ESR1 (0.70) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL2051070 | 0.80 | ESR1 (0.73) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL25865911 | 0.79 | SHBG (0.53) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL3125813 | 0.79 | ESR1 (0.55) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL19286941 | 0.79 | ESR1 (0.40) | ESR1ESR2CYP3A4MEN1KMT2A | |
| SCHEMBL25230502 | 0.74 | SHBG (0.52) | ESR1ESR2CYP3A4LMNATYR | |
| SCHEMBL15987406 | 0.74 | ESR1 (0.53) | ESR1ESR2CYP3A4LMNATYR |
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-119044366-A | Method for measuring alkylphenol, bisphenol A and pentachlorophenol in water | 上海金艺检测技术有限公司 | 2024-11-29 | — | — | CN | disclosed |