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 | 3/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA6 | P23280 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | ESRRG | P62508 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
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 SCHEMBL9246479 | 0.98 | ESR1 (0.58) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Bisphenol A SCHEMBL7055240 | 0.98 | ESR1 (0.58) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Bisphenol A SCHEMBL11199980 | 0.95 | ESR1 (0.61) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Isophthalic Acid SCHEMBL10494662 | 0.92 | RXRA (0.54) | CA12CA1CA2CA6CA9 | |
| Bisphenol A SCHEMBL11427584 | 0.90 | ESR1 (0.64) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| SCHEMBL9003758 | 0.89 | ESR1 (0.68) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Bisphenol A SCHEMBL5935233 | 0.88 | ESR1 (0.70) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| SCHEMBL4348947 | 0.88 | ESR1 (0.67) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Bisphenol A SCHEMBL2854094 | 0.88 | ESR1 (0.67) | ESR1ESR2CYP3A4ALDH1A1CA12 | |
| Benzoic Acid SCHEMBL27569004 | 0.86 | ESR1 (0.74) | ESR1ESR2CYP3A4ALDH1A1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4358568-A | HEATING UNDER VACUUM WITH A POLYESTER OF BISPHENOL A, ISOPHTHALIC, AND TEREPHTHALIC ACID; MOLDING MATERIALS | GENERAL ELECTRIC COMPANY (US) | 1982-11-09 | — | — | US | claimed |
| US-4440912-A | Copolymers of polyarylates with polyethylene arylates and process for their preparation | GENERAL ELECTRIC COMPANY (US) | 1984-04-03 | — | — | US | disclosed |
| US-4440912-A | Copolymers of polyarylates with polyethylene arylates and process for their preparation | GENERAL ELECTRIC COMPANY (US) | 1984-04-03 | — | — | US | disclosed |
| US-4358568-A | HEATING UNDER VACUUM WITH A POLYESTER OF BISPHENOL A, ISOPHTHALIC, AND TEREPHTHALIC ACID; MOLDING MATERIALS | GENERAL ELECTRIC COMPANY (US) | 1982-11-09 | — | — | US | disclosed |
| US-4358568-A | HEATING UNDER VACUUM WITH A POLYESTER OF BISPHENOL A, ISOPHTHALIC, AND TEREPHTHALIC ACID; MOLDING MATERIALS | GENERAL ELECTRIC COMPANY (US) | 1982-11-09 | — | — | US | disclosed |