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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.40 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.31 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 SCHEMBL6686404 | 1.00 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Water SCHEMBL845969 | 1.00 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Water SCHEMBL8139598 | 0.95 | CASP1 (0.44) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL29485005 | 0.94 | — | — | |
| SCHEMBL9579151 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL25853 | 0.94 | — | — | |
| SCHEMBL8465809 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL29900242 | 0.94 | — | — | |
| SCHEMBL9583239 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL175612 | 0.94 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB |
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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107189733-B | Polyol ether toughened and modified melamine-formaldehyde-urea copolycondensation adhesive, and preparation method and application thereof | 南京林业大学 | 2020-12-22 | — | — | CN | claimed |
| CN-110885289-A | Pipeline reaction synthesis method of p-nitroaniline | 乐平市景顺实业有限公司 | 2020-03-17 | — | — | CN | claimed |
| US-9988518-B2 | Chlorine-resistant crosslinkable polyolefin compositions and articles made therefrom | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2018-06-05 | — | — | US | claimed |
| EP-2563827-B1 | CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM | MOMENTIVE PERFORMANCE MAT INC (US) | 2017-06-21 | — | — | EP | claimed |
| US-20150132518-A1 | CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM | MOMENTIVE PERFORMANCE MATERIALS INC. | 2015-05-14 | — | — | US | claimed |
| US-8962718-B2 | Chlorine-resistant crosslinkable polyolefin compositions and articles made therefrom | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2015-02-24 | — | — | US | claimed |
| US-20130127961-A1 | COMPOSITE MATERIAL AND PROCESS FOR PRODUCING IT | PFLEIDERER HOLZWERKSTOFFE GMBH (DE) | 2013-05-23 | — | — | US | claimed |
| EP-2563827-A1 | CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM | Momentive Performance Materials Inc. (US) | 2013-03-06 | — | — | EP | claimed |
| WO-2011139635-A1 | CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2011-11-10 | — | — | WO | claimed |
| US-20110259464-A1 | CHLORINE-RESISTANT CROSSLINKABLE POLYOLEFIN COMPOSITIONS AND ARTICLES MADE THEREFROM | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2011-10-27 | — | — | US | claimed |
| EP-0628180-B1 | PLIABLE, AQUEOUS PROCESSABLE, PHOTOIMAGEABLE PERMANENT COATINGS FOR PRINTED CIRCUITS | DU PONT (US) | 1998-09-16 | — | — | EP | claimed |
| US-5536620-A | ACRYLIC, POLYURETHANE ACRYLATE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-16 | — | — | US | claimed |
| EP-0628180-A1 | PLIABLE, AQUEOUS PROCESSABLE, PHOTOIMAGEABLE PERMANENT COATINGS FOR PRINTED CIRCUITS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-12-14 | — | — | EP | claimed |
| WO-1993017368-A1 | PLIABLE, AQUEOUS PROCESSABLE, PHOTOIMAGEABLE PERMANENT COATINGS FOR PRINTED CIRCUITS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-09-02 | — | — | WO | claimed |
| WO-2024146756-A1 | METHOD FOR PRODUCING A LAMINATE COMPRISING AT LEAST ONE KRAFT PAPER LAYER AND AT LEAST ONE OTHER PAPER LAYER | SWISS KRONO Tec AG (CH) | 2024-07-11 | — | — | WO | disclosed |
| US-20240034840-A1 | HYDROPHOBIZING AGENT HAVING A PERMANENT EFFECT | RUDOLF GMBH (DE) | 2024-02-01 | — | — | US | disclosed |
| EP-4298154-A1 | HYDROPHOBIZING AGENT HAVING A PERMANENT EFFECT | Rudolf GmbH (DE) | 2024-01-03 | — | — | EP | disclosed |
| US-4119599-A | Cathodic electrocoating compositions containing acid-functional aminoplast and flexibilized, epoxy-free, aminated resin | SCM CORPORATION (US) | 1978-10-10 | — | — | US | disclosed |
| US-4066525-A | CATHODIC ELECTROCOATING PROCESS | SCM CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |
| US-3972677-A | Process for the preparation of discharge effects on dyeings or prints made with disperse dyes on flat-surface textile structures of synthetic fibers | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |