Water

Water

SCHEMBL2233951

O.O=C(O)CC(O)(CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.68

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
CHRM1 known ✓ P11229 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37
MEN1 known ✓ O00255 2/20 0.35
ESR1 known ✓ P03372 1/20 0.33
ESR2 known ✓ Q92731 1/20 0.33
ALDH1A1 P00352 3/20 0.68
SLC13A5 Q86YT5 6/20 0.40
HMGCR P04035 1/20 0.37
TBXA2R P21731 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
ACLY P53396 3/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35

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 SCHEMBL8154771 1.00 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Water SCHEMBL26692025 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Water SCHEMBL28198154 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Water SCHEMBL25257573 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Water SCHEMBL27742166 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL27572383 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL27588804 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL934375 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL144692 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Hydrochloric Acid SCHEMBL28074367 0.96 ALDH1A1 (0.62) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12295921-B2 Epinephrine spray formulations Bryn Pharma, LLC (US) 2025-05-13 US disclosed
US-12245995-B2 Epinephrine spray formulations Bryn Pharma, LLC (US) 2025-03-11 US disclosed
US-12150921-B2 Epinephrine spray formulations Bryn Pharma, LLC (US) 2024-11-26 US disclosed
EP-4338804-A2 EPINEPHRINE SPRAY FORMULATIONS Bryn Pharma, LLC (US) 2024-03-20 EP disclosed
US-20230364036-A1 EPINEPHRINE SPRAY FORMULATIONS Bryn Pharma, LLC 2023-11-16 US disclosed
US-11723884-B2 Epinephrine spray formulations Bryn Pharma, LLC (US) 2023-08-15 US disclosed
US-20210361595-A1 EPINEPHRINE SPRAY FORMULATIONS Bryn Pharma, LLC 2021-11-25 US disclosed
US-20210361594-A1 EPINEPHRINE SPRAY FORMULATIONS Bryn Pharma, LLC 2021-11-25 US disclosed
US-20210346316-A1 EPINEPHRINE SPRAY FORMULATIONS Bryn Pharma, LLC 2021-11-11 US disclosed
US-11000489-B2 Epinephrine spray formulations Bryn Pharma, LLC (US) 2021-05-11 US disclosed
EP-1528933-B1 PHARMACEUTICAL ANTI-TNF-ALPHA ANTIBODY FORMULATION ABBOTT BIOTECH LTD (BM) 2012-05-02 EP disclosed
WO-2011149412-A1 INJECTABLE EMULSION OF SEDATIVE HYPNOTIC AGENT ASTRAZENECA AB (SE) 2011-12-01 WO disclosed
EP-2363145-A1 Pharmaceutical anti-TNF-alpha antibody formulation Abbott Biotechnology Ltd (BM) 2011-09-07 EP disclosed
EP-2361637-A1 Formulation of human antibodies for treating TNF-alpha associated disorders Abbott Biotechnology Ltd (BM) 2011-08-31 EP disclosed
CN-101381531-A Five-layer pigment MERCK PATENT GMBH (DE) 2009-03-11 CN disclosed
CN-101104748-A Multilayer pigments based on glass flakes MERCK PATENT GMBH (DE) 2008-01-16 CN disclosed
CN-1745740-A Diffractive colorants for cosmetics MERCK PATENT GMBH (DE) 2006-03-15 CN disclosed
CN-1622981-A Multilayer pigments based on glass flakes MERCK PATENT GMBH (DE) 2005-06-01 CN disclosed
CN-1470569-A Five-layer pigment 默克专利股份有限公司 2004-01-28 CN disclosed
WO-2000013502-A1 FOLIAR FERTILIZER AND METHOD FOR USING THE SAME YAMASHITA THOMAS T (US) 2000-03-16 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 (9 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-12245995-B2 Epinephrine spray formulations ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-12150921-B2 Epinephrine spray formulations ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-11000489-B2 Epinephrine spray formulations ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-20210361595-A1 EPINEPHRINE SPRAY FORMULATIONS ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-20210361594-A1 EPINEPHRINE SPRAY FORMULATIONS ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-12295921-B2 Epinephrine spray formulations ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-20230364036-A1 EPINEPHRINE SPRAY FORMULATIONS ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-20210346316-A1 EPINEPHRINE SPRAY FORMULATIONS ADRB2, ADRA2A, ADRA2C CHRM1 522/4885ADRA1A 8/4885MEN1 1268/4885
US-11723884-B2 Epinephrine spray formulations ADRB2, EPX, ADRB1 CHRM1 372/4885ADRA1A 6/4885MEN1 928/4885

“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.