Water

Water

SCHEMBL6010194

Cc1cc(C)nc(C)n1.O.O

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.36
PDE4A known ✓ P27815 1/20 0.34
POLB P06746 2/20 0.50
APOBEC3G Q9HC16 1/20 0.50
LMNA P02545 3/20 0.43
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
NOS1 P29475 1/20 0.39
GAA P10253 4/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AGO2 Q9UKV8 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL196024 0.96
SCHEMBL3600351 0.76
SCHEMBL4917689 0.76 GPR119 (0.42) POLBLMNAGAAKMT2AMEN1
SCHEMBL958039 0.76
SCHEMBL786227 0.76
SCHEMBL29411916 0.76
SCHEMBL508369 0.76
SCHEMBL6487423 0.76
SCHEMBL3096827 0.76
SCHEMBL3083442 0.76

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-117659326-A Defect-controllable porous material, preparation method thereof and alkane-alkene separation application 浙江大学杭州国际科创中心 2024-03-08 CN disclosed
US-7022721-B1 Method and composition for rejuvenating cells, tissues, organs, hair and nails ULRICH PETER C 2006-04-04 US disclosed
EP-1368029-A4 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS LLC (US) 2006-02-15 EP disclosed
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails ULRICH PETER C 2005-11-03 US disclosed
US-6777557-B2 Method and composition for rejuvenating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2004-08-17 US disclosed
EP-1368029-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS Farrington Pharmaceuticals, LLC (US) 2003-12-10 EP disclosed
US-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2002-12-12 US disclosed
WO-2002062301-A2 METHOD AND COMPOSITION FOR REJUVINATING CELLS, TISSUES, ORGANS, HAIR AND NAILS FARRINGTON PHARMACEUTICALS, LLC (US) 2002-08-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020188015-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 MEN1 2886/4885PDE4A 1984/4885POLB 2124/4885
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 MEN1 2886/4885PDE4A 1984/4885POLB 2124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.