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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 4/20 | 0.68 |
| ▸ | CTSK | P43235 | 4/20 | 0.68 |
| ▸ | CTSL | P07711 | 2/20 | 0.68 |
| ▸ | CTSB | P07858 | 1/20 | 0.68 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LAP3 | P28838 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
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 SCHEMBL11331808 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| Water SCHEMBL2838131 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| Water SCHEMBL1069558 | 1.00 | CTSS (0.68) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL17560 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL17559 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL66243 | 0.98 | CTSL (0.66) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL28058660 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| Fluoride SCHEMBL27561259 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL8579795 | 0.97 | CTSL (0.64) | CTSSCTSKCTSLCTSBCAPN1 | |
| Hydrazine SCHEMBL8410651 | 0.95 | CTSL (0.62) | CTSSCTSKCTSLCTSBCAPN1 |
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 187 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368352-A | Glucokinase agonist and preparation method and application thereof | 南京盛德瑞尔医药科技有限公司 | 2022-11-22 | — | — | CN | claimed |
| US-6398857-B1 | ACCUSTIC PIEZOELECTRIC; HOT MELT INK JET PRINTING; BENZOIC ACID VEHICLE; ALKYL OR PHENYL CARBOXYLIC ACID VISCOSITY MODIFIER; RETAINS DESIRED HARDNESS | XEROX CORPORATION | 2002-06-04 | — | — | US | claimed |
| US-6395077-B1 | INKS WITH BENZOYLBENZOIC ACID AND COLORS | XEROX CORPORATION | 2002-05-28 | — | — | US | claimed |
| JP-10045699-A | — | — | None | — | — | JP | disclosed |
| US-12606520-B2 | Calpain-2 inhibitor compounds and methods of treatment | WESTERN UNIVERSITY OF HEALTH SCIENCES (US) | 2026-04-21 | — | — | US | disclosed |
| EP-4712969-A1 | CYCLIN INHIBITORS | Circle Pharma, Inc. (US) | 2026-03-25 | — | — | EP | disclosed |
| US-20260008024-A1 | A DEVICE THAT ENABLES THE COMBINATORIAL SYNTHESIS OF SMALL MOLECULE LIBRARIES | BRT BIOTECHNOLOGIES INC (US) | 2026-01-08 | — | — | US | disclosed |
| US-20250339396-A1 | NOVEL MODULATORS OF THE MELATONIN RECEPTORS AS WELL AS METHOD OF MANUFACTURE AND USES THEREOF | COSMAS THERAPEUTICS DEVELOPMENT INC. (CA) | 2025-11-06 | — | — | US | disclosed |
| US-12378209-B2 | Protease inhibitors | MEDIVIR AB (SE) | 2025-08-05 | — | — | US | disclosed |
| EP-3259250-B1 | NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS | OXFORD DRUG DESIGN LTD (GB) | 2025-07-02 | — | — | EP | disclosed |
| US-12331072-B2 | Deprotection method and resin removal method in solid-phase reaction for peptide compound or amide compound, and method for producing peptide compound | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2025-06-17 | — | — | US | disclosed |
| EP-0113996-A2 | Peptide derivatives | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1984-07-25 | — | — | EP | disclosed |
| US-4338305-A | LUTEINIZING HORMONE RELEASING HORMONE; CONTRACEPTIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-07-06 | — | — | US | disclosed |
| US-RE30752-E | CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-09-29 | — | — | US | disclosed |
| US-4272432-A | Claudogenic-interceptive nonapeptide | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-06-09 | — | — | US | disclosed |
| US-4260681-A | Reagent system and method for assaying peptidase enzymes | CALBIOCHEM-BEHRING CORP. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4242256-A | Synthesis of peptide analogues | SHARPE ROBERT (GB) | 1980-12-30 | — | — | US | disclosed |
| US-4010178-A | Carbonic acid esters, and the preparation thereof and their use | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1977-03-01 | — | — | US | disclosed |
| US-3936452-A | Process of producing pyrimidyl thiocarbonates | NITTO BOSEKI CO., LTD. (JA) | 1976-02-03 | — | — | US | disclosed |
| US-3932375-A | PROTECTING GROUPS | NITTO BOSEKI CO. LTD. (JA) | 1976-01-13 | — | — | 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 (5 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-20250339396-A1 | NOVEL MODULATORS OF THE MELATONIN RECEPTORS AS WELL AS METHOD OF MANUFACTURE AND USES THEREOF | MTNR1A, MTNR1B, PER2 | MEN1 1496/4885CTSS 4162/4885CTSK 4054/4885 |
| US-12331072-B2 | Deprotection method and resin removal method in solid-phase reaction for peptide compound or amide compound, and method for producing peptide compound | VIP, PEPD, MLN | MEN1 1968/4885CTSS 580/4885CTSK 423/4885 |
| US-20260008024-A1 | A DEVICE THAT ENABLES THE COMBINATORIAL SYNTHESIS OF SMALL MOLECULE LIBRARIES | ILK, OSTC, YES1 | MEN1 3189/4885CTSS 1401/4885CTSK 1734/4885 |
| US-12378209-B2 | Protease inhibitors | MMP26, CTSK, TMPRSS6 | MEN1 660/4885CTSS 6/4885CTSK 2/4885 |
| US-12606520-B2 | Calpain-2 inhibitor compounds and methods of treatment | CAPN2, CAPN1, CAPNS1 | MEN1 4765/4885CTSS 143/4885CTSK 217/4885 |
“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.