Water

Water

SCHEMBL138325

C=C(C)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
CBLB Q13191 5/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
BBOX1 O75936 1/20 0.30

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
SCHEMBL245098 0.98 EPHX2 (0.35) EPHX2CBLBKMT2AATMKDM4E
Hydrochloric Acid SCHEMBL3644710 0.97 EPHX2 (0.35) EPHX2CBLBKMT2AATMKDM4E
Water SCHEMBL15392704 0.97 EPHX2 (0.35) EPHX2CBLBKMT2AATMKDM4E
Water SCHEMBL15392456 0.96 EPHX2 (0.37) EPHX2CBLBKMT2AATMKDM4E
Methacrylic Acid SCHEMBL21569269 0.95 EPHX2 (0.32) EPHX2CBLBKMT2AATMBBOX1
Methacrylic Acid SCHEMBL21569285 0.94 EPHX2 (0.33) EPHX2CBLBKMT2AATMKDM4E
Water SCHEMBL15393135 0.94 EPHX2 (0.39) EPHX2CBLBKMT2AATMKDM4E
Water SCHEMBL15391652 0.94 CBLB (0.34) EPHX2CBLBKMT2AATMKDM4E
Water SCHEMBL4920659 0.94 EPHX2 (0.32) EPHX2BBOX1
SCHEMBL12172334 0.94 EPHX2 (0.38) EPHX2CBLBKMT2AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12163095-B2 Copolymers useful as water clarifiers and for water-oil separation BAKER HUGHES OILFIELD OPERATIONS LLC (US) 2024-12-10 US claimed
US-20240301218-A1 Polymeric Antifouling Coating with Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-09-12 US claimed
EP-3824921-B1 BEADS FOR BLOOD PROCESSING ASAHI KASEI MEDICAL CO LTD (JP) 2024-08-21 EP claimed
CN-117897456-A Polymeric antifouling coatings with antimicrobial peptides 英属哥伦比亚大学 2024-04-16 CN claimed
EP-4347732-A1 POLYMERIC ANTIFOULING COATING WITH ANTIMICROBIAL PEPTIDES The University of British Columbia (CA) 2024-04-10 EP claimed
US-11850345-B2 Beads for blood processing ASAHI KASEI MEDICAL CO., LTD. (JP) 2023-12-26 US claimed
CN-112827478-B Bead for blood treatment 旭化成医疗株式会社 2023-06-30 CN claimed
US-11597789-B2 Materials for hydrophilic interaction chromatography and processes for preparation and use thereof for analysis of glycoproteins and glycopeptides WATERS TECHNOLOGIES CORPORATION (US) 2023-03-07 US claimed
US-20230024332-A1 Antifouling Polymeric Coating Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-01-26 US claimed
US-11459434-B2 Antifouling polymeric coating compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-10-04 US claimed
WO-2009126207-A1 COMPOSITE MATERIALS CONTAINING NANOPARTICLES AND THEIR USE IN CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION (US) 2009-10-15 WO claimed
EP-2101999-A1 POROUS CARBON-HETEROATOM-SILICON HYBRID INORGANIC/ORGANIC MATERIALS FOR CHROMATOGRAPHIC SEPARATIONS AND PROCESS FOR THE PREPARATION THEREOF Waters Technologies Corporation (US) 2009-09-23 EP claimed
WO-2009002703-A2 OPHTHALMIC SOLUTIONS BAUSCH & LOMB INCORPORATED (US) 2008-12-31 WO claimed
US-20080314767-A1 Ophthalmic Solutions BAUSCH & LOMB INCORPORATED (US) 2008-12-25 US claimed
WO-2008106323-A2 A HIGH THROUGHPUT SCREENING METHOD AND APPARATUS TO PRODUCE MODIFIED POLYMERS PARTICULARLY MEMBRANES RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-09-04 WO claimed
WO-2008085435-A1 POROUS CARBON-HETEROATOM-SILICON HYBRID INORGANIC/ORGANIC MATERIALS FOR CHROMATOGRAPHIC SEPARATIONS AND PROCESS FOR THE PREPARATION THEREOF WATERS INVESTMENTS LIMITED (US) 2008-07-17 WO claimed
EP-1694420-A1 METHOD FOR THE CONCENTRATION AND PURIFICATION OF BIOLOGICAL COMPOUNDS Preentec AG (CH) 2006-08-30 EP claimed
WO-2005058453-A1 METHOD FOR THE CONCENTRATION AND PURIFICATION OF BIOLOGICAL COMPOUNDS PREENTEC AG (CH) 2005-06-30 WO claimed
WO-2004041398-A2 POROUS INORGANIC/ORGANIC HYBRID MATERIALS AND PREPARATION THEREOF WATERS INVESTMENTS LIMITED (US) 2004-05-21 WO claimed
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof L'OREAL (FR) 2003-08-28 US 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-20240301218-A1 Polymeric Antifouling Coating with Antimicrobial Peptides NPPA, PDAP1, CUTA EPHX2 4721/4885CBLB 2516/4885KMT2A 2446/4885
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof PARN, PCNA, F13A1 EPHX2 1416/4885CBLB 4025/4885KMT2A 1700/4885

“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.