Water — predicted protein targets

Known targets — ChEMBL curated mechanism

ABCC9 ABL1 ACE ACHE ACVR1 ADORA1 ADORA2A ADORA2B ADORA3 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 AGTR1 ALOX5 ATP4A ATP4B BCR BTK CACNA1A CACNA1B CACNA1C CACNA1D CACNA1E CACNA1F CACNA1G CACNA1H CACNA1I CACNA1S CACNA2D1 CACNA2D2 CACNA2D3 CACNA2D4 CACNB1 CACNB2 CACNB3 CACNB4 CACNG1 CACNG2 CACNG3 CACNG4 CACNG5 CACNG6 CACNG7 CACNG8 CALCRL CFB CHRM1 CHRM2 CHRM3 CHRM4 CHRM5 CHRNA1 CHRNB1 CHRND CHRNE CHRNG CRBN CUL4A CXCR1 CXCR2 DDB1 DDC DHFR DPP4 DRD2 DRD3 DRD4 EGFR ERBB2 ERBB4 ESR1 ESR2 FDPS FKBP1A FLT1 FLT3 FLT4 GART GHSR GRIA1 GRIA2 GRIA3 GRIA4 GRIK1 GRIK2 GRIK3 GRIK4 GRIK5 GRIN2A GSK3A GSK3B HDAC1 HDAC10 HDAC11 HDAC2 HDAC3 HDAC4 HDAC5 HDAC6 HDAC7 HDAC8 HDAC9 HRH1 HTR1A HTR1B HTR1D HTR1E HTR1F HTR2A HTR2B HTR2C HTR3A HTR3B HTR3C HTR3D HTR3E HTR4 HTR5A HTR6 HTR7 IDH1 IDH2 IMPA1 ITGA2B ITGB3 JAK1 JAK2 JAK3 KCNJ11 KCNK3 KCNK9 KDR KIT MEN1 MET MMP1 MMP13 MMP7 MMP8 NA NOD2 NS5b ODC1 OPG057 OPRD1 OPRK1 OPRM1 P PARP1 PARP2 PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PKLR PPARD PPAT PTGS1 PTGS2 RBX1 ROCK1 ROCK2 RRM1 RRM2 RRM2B SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SCNN1A SCNN1B SCNN1G SIGMAR1 SLC10A2 SLC5A2 SLC6A2 SLC6A3 SLC6A4 SLC9A3 SYK TACR1 THRA THRB TOP1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 TYK2 TYMS VDR ampC bla blaT-3 blaT-4 blaT-5 blaT-6 blaUOE-1 dacA dacB dacC folA folP ftsI gyrA gyrB ileS mecA mrcA mrcB mrdA parC parE pbp2 pbp4 pbpA pbpF rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmG3 rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU thyA ykgM ykgO

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)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS1 known ✓	P23219	1/20	0.42

▸	HTR1A known ✓	P08908	1/20	0.40

▸	ADRA2A known ✓	P08913	1/20	0.40

▸	ADORA3 known ✓	P0DMS8	1/20	0.40

▸	CHRM1 known ✓	P11229	1/20	0.40

▸	DRD2 known ✓	P14416	1/20	0.40

▸	ADRA2B known ✓	P18089	1/20	0.40

▸	DRD4 known ✓	P21917	1/20	0.40

▸	ACHE known ✓	P22303	1/20	0.40

▸	SLC6A2 known ✓	P23975	1/20	0.40

▸	CXCR2 known ✓	P25025	1/20	0.40

▸	PDE4A known ✓	P27815	1/20	0.40

▸	AGTR1 known ✓	P30556	1/20	0.40

▸	ADRA1A known ✓	P35348	1/20	0.40

▸	OPRM1 known ✓	P35372	1/20	0.40

▸	DRD3 known ✓	P35462	1/20	0.40

▸	OPRK1 known ✓	P41145	1/20	0.40

▸	HTR2B known ✓	P41595	1/20	0.40

▸	HTR6 known ✓	P50406	1/20	0.40

▸	SLC6A3 known ✓	Q01959	1/20	0.40

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.

Compound	similarity	top predicted	shared targets
Water SCHEMBL11657597	1.00	EHMT2 (0.42)	EHMT2EHMT1CA12CA1CA2
Water SCHEMBL165775	1.00	EHMT2 (0.42)	EHMT2EHMT1CA12CA1CA2
Methyl Alcohol SCHEMBL27077116	0.97	EHMT2 (0.40)	EHMT2EHMT1CA12CA1CA2
SCHEMBL213880	0.97	CA12 (0.43)	EHMT2EHMT1CA12CA1CA2
Water SCHEMBL452143	0.97	CA12 (0.43)	EHMT2EHMT1CA12CA1CA2
SCHEMBL27713781	0.95	EHMT2 (0.42)	EHMT2EHMT1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL27797632	0.95	EHMT2 (0.42)	EHMT2EHMT1CA12CA1CA2
SCHEMBL13858014	0.95	EHMT2 (0.42)	EHMT2EHMT1CA12CA1CA2
SCHEMBL48383	0.95	CA12 (0.46)	EHMT2EHMT1CA12CA1CA2
Alcohol SCHEMBL28178874	0.92	EHMT2 (0.40)	EHMT2EHMT1CA12CA1CA2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-12421614-B2	Aerosol-assisted chemical vapor deposition of nickel sulfide nanowires for electrochemical water oxidation	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2025-09-23	—	—	US	disclosed
US-12180229-B2	Pharmaceutical composition with primary and secondary therapeutic agents	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-12-31	—	—	US	disclosed
US-12162898-B2	Injectable gold-based pharmaceutical composition	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-12-10	—	—	US	disclosed
US-12110301-B2	Anti-cancer composition containing gold and cytotoxic agent	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-10-08	—	—	US	disclosed
US-12110300-B2	Liquid pharmaceutical composition of gold	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-10-08	—	—	US	disclosed
US-12103940-B2	Cytotoxicity assay composition and gold (III) complex	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-10-01	—	—	US	disclosed
US-12103939-B2	Solid pharmaceutical gold-based composition	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-10-01	—	—	US	disclosed
US-20240309021-A1	PHARMACEUTICAL COMPOSITION WITH PRIMARY AND SECONDARY THERAPEUTIC AGENTS	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-09-19	—	—	US	disclosed
US-20240279242-A1	SOLID PHARMACEUTICAL GOLD-BASED COMPOSITION	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-08-22	—	—	US	disclosed
US-20240279243-A1	LIQUID PHARMACEUTICAL COMPOSITION OF GOLD	KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA)	2024-08-22	—	—	US	disclosed
US-7153955-B2	Pentopyranosyl nucleic acid arrays, and uses thereof	NANOGEN RECOGNOMICS GMBH (DE)	2006-12-26	—	—	US	disclosed
US-20060270840-A1	Pentopyranosyl nucleic acid conjugates	SANOFI-AVENTIS S.A. (FR)	2006-11-30	—	—	US	disclosed
US-20050053945-A1	Process for the preparation of a pentopyranosyl conjugate	NANOGEN RECOGNOMICS GMBH	2005-03-10	—	—	US	disclosed
US-20050004356-A1	Linker nucleoside, its preparation and use	NANOGEN RECOGNOMICS GMBH (DE)	2005-01-06	—	—	US	disclosed
US-20040198966-A1	Pentopyranosylnucleoside, its preparation and use	NANOGEN RECOGNOMICS GMBH	2004-10-07	—	—	US	disclosed
US-6699978-B1	Linker nucleoside, and production and use of the same	NANOGEN RECOGNOMICS GMBH (DE)	2004-03-02	—	—	US	disclosed
US-6613894-B1	Bonding the nucleoside to a solid support, deprotecting using an acid, reacting with a nucleoside phosphoramidite; oxidizing and coupling a biomolecule to the product	NANOGEN RECOGNOMICS GMBH (DE)	2003-09-02	—	—	US	disclosed
US-6608186-B1	Of given formula; use for the production of a therapeutic, diagnostic and/or electronic component; use in the construction of supramolecular units	NANOGEN RECOGNOMICS GMBH (DE)	2003-08-19	—	—	US	disclosed
US-20030039997-A1	Pentopyranosyl nucleic acid arrays, and uses thereof	AVENTIS RESEARCH AND TECHNOLOGIES GMBH & CO. KG (DE)	2003-02-27	—	—	US	disclosed
US-6506896-B1	Conjugated to peptides, proteins, nucleic acids, antibodies, RNA, or DNA; medical diagnosis, electronics	NANOGEN RECOGNOMICS GMBH (DE)	2003-01-14	—	—	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 (13 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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-12110301-B2	Anti-cancer composition containing gold and cytotoxic agent	HCCS, MCL1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16	PTGS1 3380/4885HTR1A 4723/4885ADRA2A 1205/4885
US-20040198966-A1	Pentopyranosylnucleoside, its preparation and use	FUT6, ST3GAL3, FUT5	PTGS1 1867/4885HTR1A 2959/4885ADRA2A 2517/4885
US-12103940-B2	Cytotoxicity assay composition and gold (III) complex	HCCS, MCL1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16	PTGS1 3774/4885HTR1A 4263/4885ADRA2A 1184/4885
US-20240279243-A1	LIQUID PHARMACEUTICAL COMPOSITION OF GOLD	H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, MC2R	PTGS1 3281/4885HTR1A 3017/4885ADRA2A 257/4885
US-20240309021-A1	PHARMACEUTICAL COMPOSITION WITH PRIMARY AND SECONDARY THERAPEUTIC AGENTS	MC2R, NR3C2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16	PTGS1 2731/4885HTR1A 3116/4885ADRA2A 124/4885
US-20240279242-A1	SOLID PHARMACEUTICAL GOLD-BASED COMPOSITION	H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, HCCS	PTGS1 3578/4885HTR1A 2838/4885ADRA2A 181/4885
US-12110300-B2	Liquid pharmaceutical composition of gold	H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, MC2R	PTGS1 3281/4885HTR1A 3017/4885ADRA2A 257/4885
US-12162898-B2	Injectable gold-based pharmaceutical composition	H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MC2R, IDH3B	PTGS1 3436/4885HTR1A 3692/4885ADRA2A 261/4885
US-20050004356-A1	Linker nucleoside, its preparation and use	RNGTT, NSUN2, NSUN3	PTGS1 3894/4885HTR1A 4352/4885ADRA2A 4731/4885
US-12180229-B2	Pharmaceutical composition with primary and secondary therapeutic agents	MC2R, NR3C2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16	PTGS1 2731/4885HTR1A 3116/4885ADRA2A 124/4885
US-12103939-B2	Solid pharmaceutical gold-based composition	H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, HCCS	PTGS1 3578/4885HTR1A 2838/4885ADRA2A 181/4885
US-20050053945-A1	Process for the preparation of a pentopyranosyl conjugate	FUT6, FUT5, FUCA2	PTGS1 3770/4885HTR1A 3812/4885ADRA2A 2831/4885
US-20060270840-A1	Pentopyranosyl nucleic acid conjugates	FUT6, RNGTT, B3GAT3	PTGS1 3073/4885HTR1A 4042/4885ADRA2A 4537/4885

“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.