Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.33 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.30 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.30 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.30 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.30 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.30 |
| ▸ | HTR4 known ✓ | Q13639 | 1/20 | 0.30 |
| ▸ | SLC5A2 known ✓ | P31639 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1673434 | 0.98 | CYP1A2 (0.34) | ACHEALDH1A1CYP3A4BCHETP53 | |
| SCHEMBL2754953 | 0.91 | ALDH1A1 (0.39) | ACHEALDH1A1CYP3A4TP53TSHR | |
| SCHEMBL31454831 | 0.88 | CYP1A2 (0.48) | ACHEALDH1A1CYP1A2CYP2A6DRD4 | |
| SCHEMBL845625 | 0.88 | CYP1A2 (0.48) | ACHEALDH1A1CYP1A2CYP2A6DRD4 | |
| Water SCHEMBL29048719 | 0.82 | TDP1 (0.37) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 | |
| SCHEMBL14063152 | 0.81 | HRH3 (0.35) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 | |
| SCHEMBL12292914 | 0.81 | CYP1A2 (0.46) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 | |
| SCHEMBL131333 | 0.79 | TDP1 (0.38) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 | |
| Water SCHEMBL28905301 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 | |
| Water SCHEMBL5596794 | 0.76 | CYP2D6 (0.37) | ALDH1A1CYP3A4TP53TSHRSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1788016-A1 | Radiation curable silicone composition | GENERAL ELECTRIC COMPANY (US) | 2007-05-23 | — | — | EP | disclosed |
| US-6610760-B2 | Epoxy-functional silicone polymer, nonfluorescing polycyclic aromatic compound containing at least one hydroxy, alkoxy or glycidyl ether substituent bonded to an aromatic carbon atom of the compound; rapid cure speed. | GENERAL ELECTRIC COMPANY | 2003-08-26 | — | — | US | disclosed |
| US-20020032249-A1 | Radiation curable silicone composition | GENERAL ELECTRIC COMPANY | 2002-03-14 | — | — | US | disclosed |
| EP-1099737-A1 | Radiation curable silicone composition | GENERAL ELECTRIC COMPANY (US) | 2001-05-16 | — | — | EP | disclosed |