Water

Water

SCHEMBL17868370

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O.[Pt]

nearest known ligand 0.40

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
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40

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 SCHEMBL6810331 0.97 STAT3 (0.41) STAT3STAT1
SCHEMBL27893843 0.97 STAT3 (0.41) STAT3STAT1
SCHEMBL335820 0.97 STAT3 (0.41) STAT3STAT1
SCHEMBL56236 0.97 STAT3 (0.41) STAT3STAT1
Water SCHEMBL27572598 0.95 STAT3 (0.40) STAT3STAT1
SCHEMBL30432844 0.95 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27703706 0.95 STAT3 (0.40) STAT3STAT1
Water SCHEMBL28471817 0.95 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27816464 0.95 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27896917 0.95 STAT3 (0.40) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603218-A Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-02-27 — — CN claimed
CN-117603218-B Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-10-25 — — CN disclosed
CN-117603218-B Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-10-25 — — CN disclosed
CN-117603218-B Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-10-25 — — CN disclosed
CN-117603218-A Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-02-27 — — CN disclosed
CN-117603218-A Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-02-27 — — CN disclosed
CN-117603218-A Platinum porphyrin intermediate product, polymerizable platinum porphyrin oxygen probe and preparation method thereof 中国空气动力研究与发展中心低速空气动力研究所 2024-02-27 — — CN disclosed
US-9800328-B2 Systems and methods for oxygen sensing NEW YORK UNIVERSITY (US) 2017-10-24 — — US disclosed
WO-2016109495-A1 SYSTEMS AND METHODS FOR OXYGEN SENSING NEW YORK UNIVERSITY (US) 2016-07-07 — — WO disclosed
US-20160187258-A1 SYSTEMS AND METHODS FOR OXYGEN SENSING NEW YORK UNIVERSITY (US) 2016-06-30 — — US disclosed
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