Water

Water

SCHEMBL919928

CCCC(C)C(C)(C)N.O

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

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 2)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.31
TSHR P16473 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL919473 0.97
Bromide SCHEMBL5087860 0.94 TSHR (0.32) TSHROPRM1
Hydrochloric Acid SCHEMBL4336319 0.94 TSHR (0.32) TSHROPRM1
Iodide SCHEMBL5088516 0.94 TSHR (0.32) TSHROPRM1
Water SCHEMBL11611074 0.84 OPRM1 (0.39) TSHROPRM1
Formic Acid SCHEMBL5574436 0.84 METAP1 (0.32) TSHR
Acetic Acid SCHEMBL5574320 0.84 CHRM1 (0.39) TSHR
Water SCHEMBL28457263 0.82 OPRM1 (0.48) OPRM1
Pivalate SCHEMBL5574389 0.82 CHRM1 (0.38) TSHR
Propionic Acid SCHEMBL5571708 0.82 FFAR3 (0.42) TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124049-A Method for synthesizing FER zeolite nanosheet with controllable thickness by using small-molecule template agent 浙江大学 2022-09-30 CN claimed
CN-115124049-A Method for synthesizing FER zeolite nanosheet with controllable thickness by using small-molecule template agent 浙江大学 2022-09-30 CN disclosed
CN-107850859-B Stripping composition for removing photoresist on semiconductor substrate 富士胶片电子材料美国有限公司 2021-06-01 CN disclosed
US-7867474-B2 Crystalline aluminosilicates: UZM-13, UZM-17, UZM-19 and UZM-25 UOP LLC (US) 2011-01-11 US disclosed
US-20080170987-A1 Crystalline Aluminosilicates: UZM-13, UZM-17, UZM-19 and UZM-25 UOP LLC 2008-07-17 US disclosed
EP-1664245-A1 CRYSTALLINE ALUMINOSILICATES: UZM-13, UZM-17, UZM-19 AND UZM-25 UOP LLC (US) 2006-06-07 EP disclosed
WO-2005030909-A1 CRYSTALLINE ALUMINOSILICATES: UZM-13, UZM-17, UZM-19 AND UZM-25 UOP LLC (US) 2005-04-07 WO disclosed
US-20050065016-A1 Crystalline aluminosilicates:UZM-13, UZM-17, UZM-19 and UZM-25 UOP LLC 2005-03-24 US disclosed