Water

Water

SCHEMBL2493413

Cc1cc2nn[nH]c2cc1C.O

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.41
CACNA1B known ✓ Q00975 1/20 0.41
GRIN2A known ✓ Q12879 1/20 0.36
TUBB4A known ✓ P04350 1/20 0.33
TUBB known ✓ P07437 1/20 0.33
TUBA3C known ✓ P0DPH7 1/20 0.33
TUBA1B known ✓ P68363 1/20 0.33
TUBA4A known ✓ P68366 1/20 0.33
TUBB4B known ✓ P68371 1/20 0.33
TUBB3 known ✓ Q13509 1/20 0.33
TUBB2A known ✓ Q13885 1/20 0.33
TUBB8 known ✓ Q3ZCM7 1/20 0.33
TUBA3E known ✓ Q6PEY2 1/20 0.33
TUBA1A known ✓ Q71U36 1/20 0.33
TUBA1C known ✓ Q9BQE3 1/20 0.33
TUBB6 known ✓ Q9BUF5 1/20 0.33
TUBB2B known ✓ Q9BVA1 1/20 0.33
TUBB1 known ✓ Q9H4B7 1/20 0.33
PDE3B known ✓ Q13370 1/20 0.32
PDE3A known ✓ Q14432 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
Water SCHEMBL29778699 1.00 FABP6 (0.42) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL271074 0.98 FABP6 (0.43) FABP6MAPTKDM4EMEN1KMT2A
Water SCHEMBL11194637 0.96 FABP6 (0.39) FABP6MAPTKDM4EMEN1KMT2A
Water SCHEMBL11187894 0.93 FABP6 (0.41) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL18331057 0.83 FABP6 (0.33) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL202829 0.83 GRIN2D (0.47) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL30036958 0.83 GRIN2D (0.47) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL31716781 0.83 AMY1A (0.33) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL1021802 0.80 TERT (0.47) FABP6MAPTKDM4EMEN1KMT2A
SCHEMBL21314047 0.80 BCHE (0.32) FABP6AMY1A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109252165-A A kind of preparation method for subtracting copper liquid subtracting copper composition and include the composition 苏州纳勒电子科技有限公司 2019-01-22 CN claimed
EP-2014797-A2 Coating composition for interconnection part of electrode and plasma display panel including the same Samsung SDI Co., Ltd. (KR) 2009-01-14 EP claimed
US-20080303439-A1 Coating composition for interconnection part of electrode and plasma display panel including the same SAMSUNG SDI CO., LTD., A CORP. OF THE REPUBLIC OF KOREA (KR) 2008-12-11 US claimed
EP-0069685-B1 THERMOGRAPHIC RECORDING COMPOSITIONS AND RELATIVE SHEET MATERIALS AUSSEDAT-REY (FR) 1986-09-17 EP claimed
US-11940730-B2 Photoresist compositions and pattern formation methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2024-03-26 US disclosed
US-20220229366-A1 PHOTORESIST COMPOSITIONS AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-07-21 US disclosed
CN-114690557-A Photoresist composition and pattern forming method 罗门哈斯电子材料有限责任公司 2022-07-01 CN disclosed
CN-108267933-B Radiation-sensitive composition and patterning and metallization process 罗门哈斯电子材料有限责任公司 2021-12-03 CN disclosed
US-10962880-B2 Radiation-sensitive compositions and patterning and metallization processes ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2021-03-30 US disclosed
US-20200201175-A1 RADIATION-SENSITIVE COMPOSITIONS AND PATTERNING AND METALLIZATION PROCESSES U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2020-06-25 US disclosed
CN-109252165-A A kind of preparation method for subtracting copper liquid subtracting copper composition and include the composition 苏州纳勒电子科技有限公司 2019-01-22 CN disclosed
CN-108267933-A Radiation-sensitive composition and patterning and method for metallising 罗门哈斯电子材料有限责任公司 2018-07-10 CN disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
EP-2014797-A2 Coating composition for interconnection part of electrode and plasma display panel including the same Samsung SDI Co., Ltd. (KR) 2009-01-14 EP disclosed
US-20080303439-A1 Coating composition for interconnection part of electrode and plasma display panel including the same SAMSUNG SDI CO., LTD., A CORP. OF THE REPUBLIC OF KOREA (KR) 2008-12-11 US disclosed
US-4418139-A Film units containing thermally induced water-releasing benzotriazole complex POLAROID CORPORATION (US) 1983-11-29 US disclosed
US-4359397-A WATER RELEASING WHEN MELTED POLAROID CORPORATION (US) 1982-11-16 US disclosed