Water

Water

SCHEMBL295422

Nc1cccc(B(O)O)c1.O

nearest known ligand 0.95

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
ENPP2 Q13822 8/20 0.95
ALDH1A1 P00352 3/20 0.95
KDM4E B2RXH2 1/20 0.95
MGLL Q99685 2/20 0.50
CYP3A4 P08684 1/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29894945 0.98 ENPP2 (1.00) ENPP2ALDH1A1KDM4EMGLLCYP3A4
SCHEMBL22913 0.98 ENPP2 (1.00) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Hydrochloric Acid SCHEMBL29505139 0.95 ENPP2 (0.95) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Hydrochloric Acid SCHEMBL521427 0.95 ENPP2 (0.95) ENPP2ALDH1A1KDM4EMGLLCYP3A4
SCHEMBL30644017 0.95 ENPP2 (0.95) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Methane SCHEMBL28841001 0.95 ENPP2 (0.95) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Sulfuric Acid SCHEMBL2200341 0.87 ALDH1A1 (0.80) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Sulfuric Acid SCHEMBL552978 0.87 ALDH1A1 (0.80) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Sulfuric Acid SCHEMBL29364476 0.87 ALDH1A1 (0.80) ENPP2ALDH1A1KDM4EMGLLCYP3A4
Sulfuric Acid SCHEMBL28208075 0.87 ALDH1A1 (0.80) ENPP2ALDH1A1KDM4EMGLLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192124-A Non-excavation rapid asphalt repair material, and preparation method and application thereof 四川快马路畅公路养护有限公司 2025-06-24 CN claimed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
CN-117643634-A Gold rod nanocomposite with bacterial targeting effect and preparation method and application thereof 贵州医科大学 2024-03-05 CN claimed
US-20230380457-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-30 US claimed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
US-20230363426-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-16 US claimed
US-11793220-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2023-10-24 US claimed
CN-115518156-B Nanocomposite capable of releasing near-infrared thermic agent in response manner, preparation method and application 西安交通大学医学院第二附属医院 2023-10-10 CN claimed
CN-116444819-A Photo-cured hyaluronic acid-based composite hydrogel as well as preparation and application thereof 华南理工大学 2023-07-18 CN claimed
US-20220225646-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US claimed
US-20220225647-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US claimed
CN-108484832-B Preparation method of self-healing hydrogel with ultraviolet and pH sensitivity 西北大学 2020-10-16 CN claimed
US-20200088678-A1 HIGH PERFORMANCE CHEMICAL AND BIO SENSORS USING METAL OXIDE SEMICONDUCTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-19 US claimed
US-20180059051-A1 HIGH PERFORMANCE CHEMICAL AND BIO SENSORS USING METAL OXIDE SEMICONDUCTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-01 US claimed
US-8361484-B2 Polymer systems for lung volume reduction therapy AERIS THERAPEUTICS, INC. (US) 2013-01-29 US claimed
US-20100040538-A1 Polymer Systems for Lung Volume Reduction Therapy CANADIAN IMPERIAL BANK OF COMMERCE (CA) 2010-02-18 US claimed
EP-2059227-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY Aeris Therapeutics, Inc. (US) 2009-05-20 EP claimed
US-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE OHIO AEROSPACE INSTITUTE (US) 2008-10-02 US claimed
WO-2008039827-A2 POLYMER SYSTEMS FOR LUNG VOLUME REDUCTION THERAPY AERIS THERAPEUTICS, INC. (US) 2008-04-03 WO claimed

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-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE AHR, PAH, ALK ENPP2 4774/4885ALDH1A1 2169/4885KDM4E 2197/4885
US-20100040538-A1 Polymer Systems for Lung Volume Reduction Therapy GFER, MUC1, CTH ENPP2 854/4885ALDH1A1 1749/4885KDM4E 1589/4885

“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.