Water

Water

SCHEMBL7865200

O.Pc1ccccc1-c1ccccc1

nearest known ligand 0.46

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
DPP4 known ✓ P27487 1/20 0.41
HDAC4 known ✓ P56524 1/20 0.39
HDAC2 known ✓ Q92769 1/20 0.39
HDAC8 known ✓ Q9BY41 1/20 0.39
HDAC6 known ✓ Q9UBN7 1/20 0.39
PTGS2 known ✓ P35354 1/20 0.37
ALOX5 known ✓ P09917 1/20 0.36
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2A6 P11509 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MAPK1 P28482 1/20 0.46
BACE1 P56817 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
Biphenyl SCHEMBL4395361 0.97 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL29647544 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL366715 0.97 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL8036043 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
SCHEMBL29212557 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Hydrochloric Acid SCHEMBL28896072 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Biphenyl SCHEMBL9579764 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Biphenyl SCHEMBL7872958 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Biphenyl SCHEMBL11371012 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1
Biphenyl SCHEMBL7874532 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119522247-A Polycarbonate-polyorganosiloxane copolymer, polycarbonate resin composition, and molded article 出光兴产株式会社 2025-02-25 CN disclosed
CN-119343393-A Polycarbonate-polyorgano Silicone copolymer 出光兴产株式会社 2025-01-21 CN disclosed
CN-114746474-B Polycarbonate-polyorganosiloxane copolymer and resin composition containing the same 出光兴产株式会社 2024-11-22 CN disclosed
CN-114746473-B Polycarbonate-polyorganosiloxane copolymer and resin composition containing the same 出光兴产株式会社 2024-11-15 CN disclosed
CN-117500882-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-02-02 CN disclosed
CN-117480217-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-01-30 CN disclosed
CN-117460785-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-01-26 CN disclosed
CN-117460784-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-01-26 CN disclosed
CN-117460786-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-01-26 CN disclosed
CN-117440988-A Polycarbonate resin composition and molded article 出光兴产株式会社 2024-01-23 CN disclosed
CN-110461904-B Method for producing thermoplastic resin 出光兴产株式会社 2022-06-28 CN disclosed
CN-114106311-A Polycarbonate-polyorganosiloxane copolymer, method for producing same, and resin composition containing same 出光兴产株式会社 2022-03-01 CN disclosed
CN-114106312-A Polycarbonate-polyorganosiloxane copolymer, method for producing same, and resin composition containing same 出光兴产株式会社 2022-03-01 CN disclosed
CN-114106313-A Polycarbonate-polyorganosiloxane copolymer and resin composition comprising the same 出光兴产株式会社 2022-03-01 CN disclosed
WO-2021112259-A1 POLYCARBONATE/POLYORGANOSILOXANE COPOLYMER AND RESIN COMPOSITION INCLUDING SAID COPOLYMER 出光興産株式会社 2021-06-10 WO disclosed
WO-2021112257-A1 POLYCARBONATE/POLYORGANOSILOXANE COPOLYMER AND RESIN COMPOSITION INCLUDING SAID COPOLYMER 出光興産株式会社 2021-06-10 WO disclosed
WO-2021112260-A1 POLYCARBONATE/POLYORGANOSILOXANE COPOLYMER AND RESIN COMPOSITION INCLUDING SAID COPOLYMER 出光興産株式会社 2021-06-10 WO disclosed
US-6245878-B1 POLYMERIZING POLYCARBONATE PREPOLYMER IN SOLID PHASE IN PRESENCE OF PHOSPHORUS-CONTAINING BASIC COMPOUND AS CATALYST IN ATMOSPHERE OF POOR SOLVENT GAS SELECTED FROM LINEAR ALIPHATIC HYDROCARBONS AND CYCLOALIPHATIC HYDROCARBONS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-1069146-A1 POLYCARBONATE AND OPTICAL MATERIAL Idemitsu Petrochemical Co., Ltd. (JP) 2001-01-17 EP disclosed
EP-1035150-A1 COPOLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed