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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL717202 | 0.98 | TSHR (0.44) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL7743449 | 0.91 | THRB (0.49) | TSHRTHRBPOLBAPEX1HTT | |
| Glycinebetaine SCHEMBL5491265 | 0.86 | TSHR (0.35) | TSHRTHRB | |
| SCHEMBL24214486 | 0.84 | EPHX2 (0.43) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL14980 | 0.82 | TSHR (0.56) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL9321905 | 0.82 | THRB (0.55) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL7892697 | 0.81 | TSHR (0.66) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL16384826 | 0.81 | TSHR (0.45) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL245212 | 0.80 | TSHR (0.59) | TSHRTHRBPOLBAPEX1HTT | |
| SCHEMBL20970602 | 0.80 | TSHR (0.55) | TSHRTHRBPOLBAPEX1HTT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791045-B2 | Non-tacky wetness indicator composition for application on a polymeric substrate | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2014-07-29 | — | — | US | claimed |
| US-20130116644-A1 | Non-Tacky Wetness Indicator Composition for Application on a Polymeric Substrate | KIMBERLY-CLARK WORLDWIDE, INC. | 2013-05-09 | — | — | US | claimed |
| US-9557310-B2 | Water-based wetness-indicating composition and sensor | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2017-01-31 | — | — | US | disclosed |
| EP-2819713-B1 | WATER-BASED WETNESS-INDICATING COMPOSITION AND SENSOR | KIMBERLY CLARK CO (US) | 2016-11-02 | — | — | EP | disclosed |
| US-9404905-B2 | Water-based wetness-indicating composition and sensor | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| EP-2819713-A2 | WATER-BASED WETNESS-INDICATING COMPOSITION AND SENSOR | Kimberly-Clark Worldwide, Inc. (US) | 2015-01-07 | — | — | EP | disclosed |
| US-20140363354-A1 | Water-Based Wetness-Indicating Composition and Sensor | KIMBERLY-CLARK WORLDWIDE, INC. | 2014-12-11 | — | — | US | disclosed |
| US-20140241954-A1 | Water-Based Wetness-Indicating Composition and Sensor | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-8791045-B2 | Non-tacky wetness indicator composition for application on a polymeric substrate | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| WO-2013128389-A2 | WATER-BASED WETNESS-INDICATING COMPOSITION AND SENSOR | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| US-20130116644-A1 | Non-Tacky Wetness Indicator Composition for Application on a Polymeric Substrate | KIMBERLY-CLARK WORLDWIDE, INC. | 2013-05-09 | — | — | US | disclosed |