Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 11/20 | 0.89 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 13/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.89 |
| ▸ | HPGD | P15428 | 2/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.89 |
| ▸ | AR | P10275 | 1/20 | 0.89 |
| ▸ | TSHR | P16473 | 1/20 | 0.89 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.89 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.89 |
| ▸ | HTR6 | P50406 | 1/20 | 0.89 |
| ▸ | ESRRG | P62508 | 1/20 | 0.89 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | TYR | P14679 | 2/20 | 0.62 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
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 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL8058731 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL31267162 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| SCHEMBL15868669 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| SCHEMBL27996 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL9774987 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL278218 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL3170263 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL15062 | 0.94 | ESR1 (1.00) | ESR1ESR2CYP3A4HPGDHSD17B10 | |
| Bisphenol A SCHEMBL6578190 | 0.92 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023157910-A1 | POLYCARBONATE-BASED RESIN COMPOSITION | 出光興産株式会社 | 2023-08-24 | — | — | WO | disclosed |
| CN-113999382-B | Preparation method of polycarbonate | 万华化学集团股份有限公司 | 2023-07-11 | — | — | CN | disclosed |