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 | |
|---|---|---|---|---|
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.57 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.40 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.40 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | PGR | P06401 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SELP | P16109 | 5/20 | 0.37 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAG | P20916 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL342953 | 0.99 | NOD2 (0.57) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL3229330 | 0.99 | NOD2 (0.57) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL5270133 | 0.99 | NOD2 (0.57) | NOD2MAPK1ESR1PGRHTR1A | |
| Alanine SCHEMBL11120060 | 0.97 | NOD2 (0.56) | NOD2MAPK1ESR1PGRHTR1A | |
| Water SCHEMBL10911152 | 0.94 | NOD2 (0.54) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL4450131 | 0.93 | NOD2 (0.55) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL4452390 | 0.93 | NOD2 (0.55) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL10598564 | 0.93 | MAPK1 (0.57) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL8203776 | 0.93 | NOD2 (0.52) | NOD2MAPK1ESR1PGRHTR1A | |
| SCHEMBL8539918 | 0.93 | NOD2 (0.55) | NOD2MAPK1ESR1PGRHTR1A |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250127889-A1 | IMMUNOSTIMULATORY COMPOSITION | Reiko SHINKURA (JP) | 2025-04-24 | — | — | US | disclosed |
| EP-4442279-A1 | IMMUNOSTIMULATORY COMPOSITION | Shinkura, Reiko (JP) | 2024-10-09 | — | — | EP | disclosed |
| CN-118613283-A | Immunostimulatory compositions | 新藏礼子 | 2024-09-06 | — | — | CN | disclosed |
| EP-4218718-A2 | DERMAL DELIVERY COMPOSITIONS COMPRISING ACTIVE AGENT-CALCIUM PHOSPHATE PARTICLE COMPLEXES AND METHODS OF USING THE SAME | Laboratory Skin Care, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |
| WO-2023100745-A1 | IMMUNOSTIMULATORY COMPOSITION | 新藏 礼子 | 2023-06-08 | — | — | WO | disclosed |
| EP-2427178-B1 | DERMAL DELIVERY COMPOSITIONS COMPRISING ACTIVE AGENT-CALCIUM PHOSPHATE PARTICLE COMPLEXES AND METHODS OF USING THE SAME | LABORATORY SKIN CARE INC (US) | 2023-01-04 | — | — | EP | disclosed |
| US-11344618-B2 | HIV envelope glycoprotein immunogens | ACADEMISCH MEDISCH CENTRUM (NL) | 2022-05-31 | — | — | US | disclosed |
| US-20200353069-A1 | IMPROVED HIV ENVELOPE GLYCOPROTEIN IMMUNOGENS | Stichting Amsterdam UMC (NL) | 2020-11-12 | — | — | US | disclosed |
| EP-3672983-A1 | IMPROVED HIV ENVELOPE GLYCOPROTEIN IMMUNOGENS | Academisch Medisch Centrum (NL) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019042950-A1 | IMPROVED HIV ENVELOPE GLYCOPROTEIN IMMUNOGENS | ACADEMISCH MEDISCH CENTRUM (NL) | 2019-03-07 | — | — | WO | disclosed |
| US-20090036375-A1 | DBC1, a novel native inhibitor of anti-aging protein SIRT1 | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-02-05 | — | — | US | disclosed |
| US-20080274134-A1 | Hiv-1 Neutralizing Antibodies Elicited By Trimeric Hiv-1 Envelope Glycoprotein Complex | PROGENICS PHARMACEUTICALS, INC. | 2008-11-06 | — | — | US | disclosed |
| WO-2008103428-A2 | DEMANNOSYLATED HIV-1 GP120 ENVELOPE GYLCOPROTEINS, COMPOSITIONS THEREOF AND METHODS RELATING THERETO | PROGENICS PHARMACEUTICALS, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008063331-A9 | MODIFIED GP140 ENVELOPE POLYPEPTIDES OF HIV-1 ISOLATES, COMPOSITIONS, STABILIZED TRIMERIC COMPLEXES, AND USES THEREOF | PROGENICS PHARM INC (US) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008063331-A2 | MODIFIED GP140 ENVELOPE POLYPEPTIDES OF HIV-1 ISOLATES, COMPOSITIONS, STABILIZED TRIMERIC COMPLEXES, AND USES THEREOF | PROGENICS PHARMACEUTICALS, INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| EP-1766097-A4 | HIV-1 NEUTRALIZING ANTIBODIES ELICITED BY TRIMERIC HIV-1 ENVELOPE GLYCOPROTEIN COMPLEX | PROGENICS PHARM INC (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007149491-A2 | SOLUBLE STABILIZED TRIMERIC HIV ENV PROTEINS AND USES THEREOF | PROGENICS PHARMACEUTICALS, INC. (US) | 2007-12-27 | — | — | WO | disclosed |
| WO-2007139821-A2 | METHODS OF USING LRR SUPERFAMILY GENES AND PROTEINS | THE JOHNS HOPKINS UNIVERSITY (US) | 2007-12-06 | — | — | WO | disclosed |
| EP-1766097-A2 | HIV-1 NEUTRALIZING ANTIBODIES ELICITED BY TRIMERIC HIV-1 ENVELOPE GLYCOPROTEIN COMPLEX | PROGENICS PHARMACEUTICALS, INC. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002079-A2 | HIV-1 NEUTRALIZING ANTIBODIES ELICITED BY TRIMERIC HIV-1 ENVELOPE GLYCOPROTEIN COMPLEX | PROGENICS PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | WO | disclosed |