Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 known ✓ | P03372 | 13/20 | 0.94 |
| ▸ | ESR2 known ✓ | Q92731 | 11/20 | 0.94 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.94 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.94 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.94 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.94 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.94 |
| ▸ | HPGD | P15428 | 2/20 | 0.94 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.94 |
| ▸ | AR | P10275 | 1/20 | 0.94 |
| ▸ | TSHR | P16473 | 1/20 | 0.94 |
| ▸ | ESRRG | P62508 | 1/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | TYR | P14679 | 2/20 | 0.65 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 SCHEMBL8051951 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL8058731 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL31267162 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| SCHEMBL15868669 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| SCHEMBL27996 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL9774987 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL15062 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL3170263 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL278218 | 0.97 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL1871853 | 0.94 | ESR1 (0.94) | ESR1ESR2CYP3A4HPGDHSD17B10 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116948250-A | Method for forming coated calcium oxide by degrading polyurethane foam and application of coated calcium oxide | 郑州航空工业管理学院 | 2023-10-27 | — | — | CN | claimed |
| US-3972950-A | Process for the purification of bisphenol A | SHELL OIL COMPANY (US) | 1976-08-03 | — | — | US | claimed |
| EP-4153686-B1 | THERMOSET POLYMER POWDER | BYK CHEMIE GMBH (DE) | 2024-07-31 | — | — | EP | disclosed |
| CN-115667418-B | Thermosetting polymer powder | 毕克化学有限公司 | 2024-07-12 | — | — | CN | disclosed |
| WO-2023237631-A1 | PRE-POLYMER COMPOSITION WITH IMPROVED PROPERTIES | BYK-CHEMIE GMBH (DE) | 2023-12-14 | — | — | WO | disclosed |
| CN-116948250-A | Method for forming coated calcium oxide by degrading polyurethane foam and application of coated calcium oxide | 郑州航空工业管理学院 | 2023-10-27 | — | — | CN | disclosed |
| CN-114096615-B | Curable composition | 毕克化学有限公司 | 2023-10-10 | — | — | CN | disclosed |
| US-20230192968-A1 | THERMOSET POLYMER POWDER | BYK-CHEMIE GMBH (DE) | 2023-06-22 | — | — | US | disclosed |
| EP-4153686-A1 | THERMOSET POLYMER POWDER | BYK-Chemie GmbH (DE) | 2023-03-29 | — | — | EP | disclosed |
| CN-115667418-A | Thermosetting polymer powder | 毕克化学有限公司 | 2023-01-31 | — | — | CN | disclosed |
| US-20220315728-A1 | CURABLE COMPOSITION | BYK-CHEMIE GMBH (DE) | 2022-10-06 | — | — | US | disclosed |
| CN-114096615-A | Curable composition | 毕克化学有限公司 | 2022-02-25 | — | — | CN | disclosed |
| US-3972950-A | Process for the purification of bisphenol A | SHELL OIL COMPANY (US) | 1976-08-03 | — | — | US | disclosed |
| US-3972950-A | Process for the purification of bisphenol A | SHELL OIL COMPANY (US) | 1976-08-03 | — | — | US | disclosed |