Water

Water

SCHEMBL51537

C[N+](C)(C)CC(O)COc1ccc(C(=O)c2ccccc2)cc1.O.[Cl-]

nearest known ligand 0.64

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 16)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 3/20 0.51
ABCB1 P08183 9/20 0.64
MAPK1 P28482 3/20 0.59
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 1/20 0.51

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
Hydrochloric Acid SCHEMBL1702139 0.99 ABCB1 (0.65) ABCB1MAPK1LMNASMN1; SMN2HTT
Water SCHEMBL8631908 0.99 ABCB1 (0.65) ABCB1MAPK1LMNASMN1; SMN2HTT
SCHEMBL2277722 0.97 ABCB1 (0.67) ABCB1MAPK1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9618935 0.87 LMNA (0.54) ABCB1MAPK1LMNASMN1; SMN2HTT
SCHEMBL18543110 0.86 ABCB1 (0.71) ABCB1MAPK1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9619106 0.86 ABCB1 (0.61) ABCB1MAPK1LMNA
SCHEMBL10156209 0.84 ABCB1 (0.62) ABCB1MAPK1LMNA
SCHEMBL4197347 0.84 ABCB1 (0.68) ABCB1MAPK1LMNASMN1; SMN2HTT
SCHEMBL2384639 0.82 ABCB1 (0.66) ABCB1MAPK1LMNASMN1; SMN2HTT
SCHEMBL31098144 0.82 ABCB1 (0.66) ABCB1MAPK1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382868-B2 Transdermal UV-curable hydrogel resin, hydrogel curing the same and cataplasm containing the same ICURE PHARMACEUTICAL INC. (KR) 2022-07-12 US claimed
US-10919909-B2 Photoinitiated reactions LINTFIELD LIMITED (GB) 2021-02-16 US claimed
US-20190211031-A1 PHOTOINITIATED REACTIONS LINTFIELD LIMITED (GB) 2019-07-11 US claimed
US-20190046463-A1 ULTRAVIOLET-HARDENING HYDROGEL RESIN AND HYDROGEL FOR TRANSDERMAL ADMINISTRATION, AND CATAPLASM AGENT CONTAINING SAME ICURE PHARMACEUTICAL INC. (KR) 2019-02-14 US claimed
EP-3415141-A1 ULTRAVIOLET-HARDENING HYDROGEL RESIN AND HYDROGEL FOR TRANSDERMAL ADMINISTRATION, AND CATAPLASM AGENT CONTAINING SAME Icure Pharmaceutical Inc. (KR) 2018-12-19 EP claimed
US-5824716-A ULTRAVIOLET RADIATION CURABLE AQUEOUS LATEX OF PHOTOINITIATOR AND DICYCLOPENTENYLOXYETHYL METHACRYLATE COPOLYMER; COALESCING, CROSSLINKING; PAINTS, LACQUERS ELF ATOCHEM S.A. (FR) 1998-10-20 US claimed
EP-0740691-B1 PHOTOCURABLE FILM-FORMING ACRYLIC LATICES ATOCHEM ELF SA (FR) 1998-07-15 EP claimed
EP-4743828-A1 PHOTOCURABLE AS WELL AS THERMALLY CURABLE COMPOSITIONS SUITABLE FOR LOW TEMPERATURE CURING BASF SE (DE) 2026-05-20 EP disclosed
US-20260132298-A1 A METHOD FOR PRODUCING INTERFERENCE ELEMENTS BASF SE (DE) 2026-05-14 US disclosed
EP-4555025-B1 PHOTOINITIATOR PACKAGE COMPRISING SPECIALISED BISACYLPHOSPHINE OXIDE PHOTOINITIATORS, FURTHER ACYLPHOSPHINE OXIDE PHOTOINITIATORS AND OPTICAL BRIGHTENER SENSITIZERS IGM GROUP B V (NL) 2026-05-13 EP disclosed
EP-3902878-B1 PHOTOINITIATORS IGM RESINS ITALIA SRL (IT) 2026-05-06 EP disclosed
EP-4534614-B1 PHOTOINITIATOR PACKAGE COMPRISING SPECIALISED BISACYLPHOSPHINE OXIDE PHOTOINITIATORS, FURTHER ACYLPHOSPHINE OXIDE PHOTOINITIATORS AND OPTICAL BRIGHTENER SENSITIZERS IGM GROUP B V (NL) 2026-04-15 EP disclosed
EP-4722303-A1 PHOTOINITIATOR PACKAGE COMPRISING SPECIALISED BISACYLPHOSPHINE OXIDE PHOTOINITIATORS, FURTHER ACYLPHOSPHINE OXIDE PHOTOINITIATORS AND OPTICAL BRIGHTENER SENSITIZERS IGM Group B.V. (NL) 2026-04-08 EP disclosed
WO-2001042313-A1 ADDITIVE COMPOSITION FOR INCREASING THE STORAGE STABILITY OF ETHYLENICALLY UNSATURATED RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-06-14 WO disclosed
EP-1095313-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
WO-2000052530-A1 OXIME DERIVATIVES AND THE USE THEREOF AS PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-09-08 WO disclosed
US-6054251-A PHOTOCURING ACRYLIC RESIN HAVING (METH)ACRYLOYL GROUPS AS PHOTOSENSITIVE GROUPS AND GLYCIDYL GROUPS, AN INITIATOR CONTAINING TITANOCENE OF GIVEN FORMULA AND RADICAL PROTECTING COMPOUND OF N,N-DIMETHYLAMINO GROUPS BONDED TO AROMATIC RING KANSAI PAINT CO., LTD. (JP) 2000-04-25 US disclosed
WO-2000000869-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-01-06 WO disclosed
US-5824716-A ULTRAVIOLET RADIATION CURABLE AQUEOUS LATEX OF PHOTOINITIATOR AND DICYCLOPENTENYLOXYETHYL METHACRYLATE COPOLYMER; COALESCING, CROSSLINKING; PAINTS, LACQUERS ELF ATOCHEM S.A. (FR) 1998-10-20 US disclosed
US-4999218-A (Meth)acrylate copolymer and aromatic ketone dispersion; concrete roof tiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US 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 (3 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-20260132298-A1 A METHOD FOR PRODUCING INTERFERENCE ELEMENTS COPE, COPB2, C9 MEN1 1496/4885ABCB1 2785/4885MAPK1 1507/4885
US-10919909-B2 Photoinitiated reactions KMO, DECR1, PPOX MEN1 3463/4885ABCB1 3398/4885MAPK1 2668/4885
US-20190211031-A1 PHOTOINITIATED REACTIONS DOHH, PAH, DBH MEN1 3965/4885ABCB1 4441/4885MAPK1 3350/4885

“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.