Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. 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 | 2/20 | 0.42 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.36 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.33 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.32 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31169642 | 0.96 | SHBG (0.55) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL69899 | 0.96 | SHBG (0.55) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL10826036 | 0.85 | SHBG (0.46) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL10826334 | 0.85 | PTPN1 (0.47) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL10149209 | 0.81 | PTGS1 (0.43) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL10826065 | 0.79 | PTGS1 (0.44) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL35308 | 0.79 | PTPN1 (0.61) | SHBGPTPN1HMGB1CXCL12CA1 | |
| SCHEMBL68876 | 0.79 | SHBG (0.67) | SHBGHMGB1CXCL12ESR1ESR2 | |
| SCHEMBL5599293 | 0.79 | PTGS2 (0.44) | SHBGPTPN1HMGB1CXCL12ESR1 | |
| SCHEMBL11072308 | 0.79 | PTGS2 (0.44) | SHBGPTPN1HMGB1CXCL12PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119039113-B | Method for preparing 4,4' -methylenebis (2-hydroxymethyl-6-methylphenol) | 天津久日半导体材料有限公司 | 2025-02-07 | — | — | CN | disclosed |
| CN-119039113-A | Method for preparing 4,4' -methylenebis (2-hydroxymethyl-6-methylphenol) | 天津久日半导体材料有限公司 | 2024-11-29 | — | — | CN | disclosed |