Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Ethoxyethanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| 2-Methoxyethanol SCHEMBL9159003 | 0.84 | RECQL (0.42) | ALDH1A1TSHRRECQLMAPK1GLA | |
| Ether SCHEMBL120532 | 0.83 | RECQL (0.46) | TSHRRECQLMAPK1GLAHPGD | |
| SCHEMBL884529 | 0.80 | — | — | |
| 2-Ethoxyethanol SCHEMBL7711781 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRMAPK1MEN1KMT2A | |
| SCHEMBL15475636 | 0.79 | RECQL (0.54) | ALDH1A1TSHRRECQLMAPK1GLA | |
| 2-Ethoxyethanol SCHEMBL4924454 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TSHRMAPK1MEN1KMT2A | |
| Water SCHEMBL6736607 | 0.78 | — | — | |
| SCHEMBL6310749 | 0.77 | RECQL (0.36) | ALDH1A1TSHRRECQLMAPK1GLA | |
| SCHEMBL10887205 | 0.77 | MEN1 (0.50) | ALDH1A1TSHRRECQLMAPK1GLA | |
| SCHEMBL9580677 | 0.77 | RECQL (0.52) | ALDH1A1TSHRRECQLMAPK1GLA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0539370-A1 | PROCESS FOR SULFATING UNSATURATED ALCOHOLS. | PROCTER & GAMBLE (US) | 1993-05-05 | — | — | EP | disclosed |
| EP-0539370-A4 | PROCESS FOR SULFATING UNSATURATED ALCOHOLS. | PROCTER & GAMBLE (US) | 1992-08-20 | — | — | EP | disclosed |
| WO-1991009011-A1 | PROCESS FOR SULFATING UNSATURATED ALCOHOLS | THE PROCTER & GAMBLE COMPANY (US) | 1991-06-27 | — | — | WO | disclosed |