Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bisphenol A. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | TYR | P14679 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA5A | P35218 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Bisphenol A SCHEMBL29420718 | 0.91 | ESR1 (0.67) | ESR1ESR2CA2CYP3A4CA1 | |
| Bisphenol A SCHEMBL11694690 | 0.91 | ESR1 (0.67) | ESR1ESR2CA2CYP3A4CA1 | |
| SCHEMBL4348947 | 0.91 | ESR1 (0.67) | ESR1ESR2CA2CYP3A4CA1 | |
| Bisphenol A SCHEMBL2854094 | 0.91 | ESR1 (0.67) | ESR1ESR2CA2CYP3A4CA1 | |
| Bisphenol A SCHEMBL11427584 | 0.89 | ESR1 (0.64) | ESR1ESR2CA2CYP3A4CA1 | |
| Paraben SCHEMBL28953307 | 0.85 | CA2 (0.76) | ESR1ESR2CA2CYP3A4CA1 | |
| Bisphenol A SCHEMBL5935233 | 0.84 | ESR1 (0.70) | ESR1ESR2CA2CYP3A4CA1 | |
| SCHEMBL1635858 | 0.83 | SRD5A2 (0.65) | ESR1ESR2CA2CYP3A4CA1 | |
| SCHEMBL71433 | 0.83 | SRD5A2 (0.65) | ESR1ESR2CA2CYP3A4CA1 | |
| Bisphenol A SCHEMBL1683933 | 0.83 | ESR1 (0.55) | ESR1ESR2CA2CYP3A4CA1 |
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-6656649-B1 | Recording material for electrophotocopy and image recording method | FUJI PHOTO FILM CO., LTD. (JP) | 2003-12-02 | — | — | US | disclosed |