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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL721202 | 0.97 | ESR1 (0.41) | ESR1DPP4CA12CA1CA2 | |
| Water SCHEMBL9861421 | 0.92 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL8375873 | 0.92 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL29773954 | 0.89 | ESR1 (0.39) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL7579018 | 0.89 | ESR1 (0.39) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL8517367 | 0.86 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL28924074 | 0.86 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL31021576 | 0.86 | ESR1 (0.38) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL28209911 | 0.86 | DPP4 (0.37) | ESR1DPP4CA12CA1CA2 | |
| SCHEMBL141037 | 0.85 | CYP1A2 (0.40) | CA12CA1CA2CA7CA9 |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4661890-A1 | PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS | Purdue Research Foundation (US) | 2025-12-17 | — | — | EP | claimed |
| WO-2024167565-A1 | PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS | PURDUE RESEARCH FOUNDATION (US) | 2024-08-15 | — | — | WO | claimed |
| US-20120088720-A1 | INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) | 2012-04-12 | — | — | US | claimed |
| US-12551555-B2 | Compositions and methods for potentiating immune activity | KUMQUAT BIOSCIENCES INC. (US) | 2026-02-17 | — | — | US | disclosed |
| EP-4661890-A1 | PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS | Purdue Research Foundation (US) | 2025-12-17 | — | — | EP | disclosed |
| WO-2024167565-A1 | PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS | PURDUE RESEARCH FOUNDATION (US) | 2024-08-15 | — | — | WO | disclosed |
| US-20230044323-A1 | COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY | KUMQUAT BIOSCIENCES INC. | 2023-02-09 | — | — | US | disclosed |
| EP-4073242-A1 | COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY | Kumquat Biosciences Inc. (US) | 2022-10-19 | — | — | EP | disclosed |
| CN-115103907-A | Compositions and methods for enhancing immune activity | 金橘生物科技公司 | 2022-09-23 | — | — | CN | disclosed |
| WO-2021119554-A1 | COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY | KUMQUAT BIOSCIENCES INC. (US) | 2021-06-17 | — | — | WO | disclosed |
| US-9382288-B2 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) | 2016-07-05 | — | — | US | disclosed |
| CN-1284165-A | Method and reagents for quantification of solid-phase reactions using fluorine NMR | AVENTISS PHARMACEUTICAL PRODUC (US) | 2001-02-14 | — | — | CN | disclosed |
| EP-1044364-A1 | METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR | Aventis Pharmaceuticals Products Inc. (US) | 2000-10-18 | — | — | EP | disclosed |
| US-6133409-A | REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-10-17 | — | — | US | disclosed |
| WO-1999067192-A2 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-12-29 | — | — | WO | disclosed |
| EP-0946478-A1 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1999031491-A1 | METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-06-24 | — | — | WO | disclosed |
| EP-0902779-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-03-24 | — | — | EP | disclosed |
| WO-1998029376-A1 | PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-07-09 | — | — | WO | disclosed |
| WO-1997040006-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-10-30 | — | — | 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 (3 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-12551555-B2 | Compositions and methods for potentiating immune activity | PTPRCAP, PTPN2, PTPRC | ESR1 3338/4885DPP4 1843/4885MEN1 4405/4885 |
| US-20230044323-A1 | COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY | NFATC1, MYD88, ICOS | ESR1 2645/4885DPP4 3680/4885MEN1 2651/4885 |
| US-20120088720-A1 | INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES | PTPRCAP, PTPRF, PTPRS | ESR1 4599/4885DPP4 853/4885MEN1 4428/4885 |
“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.