Water

Water

SCHEMBL21747432

N[C@@H](CCP(=O)(O)O)C(=O)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 7)

geneUniProtsupporting neighboursconfidence
GLUL P15104 1/20 0.68
GRM8 O00222 1/20 0.60
GRM6 O15303 1/20 0.60
GRM7 Q14831 1/20 0.60
GRM4 Q14833 1/20 0.60
BHMT Q93088 1/20 0.58
GCLC P48506 1/20 0.55

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 SCHEMBL21747423 1.00 GLUL (0.68) GLULGRM8GRM6GRM7GRM4
Water SCHEMBL21747433 1.00 GLUL (0.68) GLULGRM8GRM6GRM7GRM4
SCHEMBL56139 0.98 GLUL (0.70) GLULGRM8GRM6GRM7GRM4
SCHEMBL12648443 0.98 GLUL (0.70) GLULGRM8GRM6GRM7GRM4
SCHEMBL1969235 0.98 GLUL (0.70) GLULGRM8GRM6GRM7GRM4
SCHEMBL31230376 0.98 GLUL (0.70) GLULGRM8GRM6GRM7GRM4
Hydrochloric Acid SCHEMBL8842420 0.95 GLUL (0.68) GLULGRM8GRM6GRM7GRM4
Methyl Alcohol SCHEMBL28474438 0.93 GLUL (0.66) GLULGRM8GRM6GRM7GRM4
D-Glutamate SCHEMBL6861834 0.88 GRM8 (0.69) GLULGRM8GRM6GRM7GRM4
Glutamic Acid SCHEMBL6861840 0.88 GRM8 (0.69) GLULGRM8GRM6GRM7GRM4

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
US-12312371-B2 Optically-active 2-amino-phosphonoalkane acid, optically-active 2-amino-phosphonoalkane acid salt, and hydrates of these NAHLS CORPORATION CO., LTD. (JP) 2025-05-27 US disclosed
EP-3613750-B1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE UNIV KYOTO (JP) 2024-12-11 EP disclosed
CN-110520432-B Optically active 2-amino-phosphonoalkanoic acid, optically active 2-amino-phosphonoalkanoic acid salt and hydrate thereof 株式会社NAHLS 2022-08-02 CN disclosed
US-20220135603-A1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE NAHLS CORPORATION CO., LTD. (JP) 2022-05-05 US disclosed
US-11220521-B2 Optically-active 2-amino-phosphonoalkane acid, optically-active 2-amino-phosphonoalkane acid salt, and hydrates of these NAHLS CORPORATION CO., LTD. (JP) 2022-01-11 US disclosed
US-20200131207-A1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINOPHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE NAHLS CORPORATION CO., LTD. (JP) 2020-04-30 US disclosed
EP-3613750-A1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE Kyoto University (JP) 2020-02-26 EP disclosed
CN-110520432-A Optically active 2-amino-phosphonoalkanoic acid, optically active 2-amino-phosphonoalkanoic acid salt and hydrate thereof NAHLS CORP CO LTD 2019-11-29 CN 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 (4 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-20220135603-A1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE AASDHPPT, PHYKPL, PKD2 GLUL 104/4885GRM8 3656/4885GRM6 3168/4885
US-11220521-B2 Optically-active 2-amino-phosphonoalkane acid, optically-active 2-amino-phosphonoalkane acid salt, and hydrates of these AASDHPPT, PHYKPL, PKD2 GLUL 104/4885GRM8 3656/4885GRM6 3168/4885
US-20200131207-A1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINOPHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE AASDHPPT, PHYKPL, PHOSPHO1 GLUL 186/4885GRM8 3780/4885GRM6 3333/4885
US-12312371-B2 Optically-active 2-amino-phosphonoalkane acid, optically-active 2-amino-phosphonoalkane acid salt, and hydrates of these AASDHPPT, PHYKPL, PKD2 GLUL 104/4885GRM8 3656/4885GRM6 3168/4885

“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.