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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.61 |
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA4 | P22748 | 4/20 | 0.61 |
| ▸ | CA6 | P23280 | 3/20 | 0.61 |
| ▸ | CA5A | P35218 | 3/20 | 0.61 |
| ▸ | CA7 | P43166 | 3/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1754798 | 0.98 | CA1 (0.64) | CA1CA2CA9CA12CA4 | |
| Hydrochloric Acid SCHEMBL27280069 | 0.95 | CA1 (0.65) | CA1CA2CA9CA12CA4 | |
| SCHEMBL4101357 | 0.95 | CA1 (0.61) | CA1CA2CA9CA12CA4 | |
| SCHEMBL28486121 | 0.88 | PSIP1 (0.55) | CA1CA2CA9CA12CA4 | |
| Taurine SCHEMBL9729788 | 0.86 | LMNA (0.52) | CA1CA2CA9CA12CA4 | |
| SCHEMBL17923474 | 0.85 | TSHR (0.64) | CA1CA2CA9CA12CA4 | |
| Benzylamine SCHEMBL27648243 | 0.85 | CA1 (0.54) | CA1CA2CA9CA12CA4 | |
| Benzylamine SCHEMBL10860423 | 0.83 | TSHR (0.67) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1806678 | 0.80 | CA2 (0.67) | CA1CA2CA9CA12CA4 | |
| Mafenide SCHEMBL1072130 | 0.80 | CA2 (0.87) | CA1CA2CA9CA12CA4 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091322-B1 | CLUMP RECOGNITION ANIMAL LITTER | CHURCH & DWIGHT CO INC (US) | 2019-08-14 | — | — | EP | disclosed |
| EP-1853229-B1 | COMPOSITION FOR ADJUSTING WATER QUALITY FOR ADMINISTRATION OF WATER SANITIZER SENSITIVE MEDICAMENTS OR VACCINES | SALMIX IND E COM LTDA (BR) | 2015-03-25 | — | — | EP | disclosed |
| EP-2091322-A2 | CLUMP RECOGNITION ANIMAL LITTER | Church & Dwight Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| CN-101395184-A | Method for breaking down cellulose in solution | BASF AG (DE) | 2009-03-25 | — | — | CN | disclosed |
| WO-2008064201-A2 | CLUMP RECOGNITION ANIMAL LITTER | CHURCH & DWIGHT CO., INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| EP-1853229-A2 | COMPOSITION FOR ADJUSTING WATER QUALITY FOR ADMINISTRATION OF WATER SANITIZER SENSITIVE MEDICAMENTS OR VACCINES | Salmix Industria e Comercio LTDA (BR) | 2007-11-14 | — | — | EP | disclosed |
| CN-1285637-C | Water-thinnable polymer precursors, their preparation and use | SURFACE SPECIALTIES SA (BE) | 2006-11-22 | — | — | CN | disclosed |
| WO-2006087358-A2 | COMPOSITION FOR ADJUSTING WATER QUALITY FOR ADMINISTRATION OF WATER SANITIZER SENSITIVE MEDICAMENTS OR VACCINES | INTERVET INTERNATIONAL B.V. (NL) | 2006-08-24 | — | — | WO | disclosed |
| CN-1252146-C | Phosphorus-containing material, its preparation and use | UCB SA (BE) | 2006-04-19 | — | — | CN | disclosed |
| CN-1671765-A | Water-thinnable polymer precursors, their preparation and use | SURFACE SPECIALTIES SA (BE) | 2005-09-21 | — | — | CN | disclosed |
| CN-1498240-A | Phosphorus containing material, their preparation method and use | UCB | 2004-05-19 | — | — | CN | disclosed |
| CN-1094937-C | Farnesyltransferase inhibiting quinazolinones | JANSSEN PHARMACEUTICA NV (BE) | 2002-11-27 | — | — | CN | disclosed |
| CN-1252800-A | Quinazolinones with farnesyl transferase inhibiting activity | JANSSEN PHARMACEUTICA NV (BE) | 2000-05-10 | — | — | CN | disclosed |
| US-5885550-A | CONTAINS BLUEING AGENT | VALLIER DEANDRA K (US) | 1999-03-23 | — | — | US | disclosed |
| US-5800601-A | Food grade jet inks | VIDEOJET SYSTEMS INTERNATIONAL, INC. (US) | 1998-09-01 | — | — | US | disclosed |
| US-4183959-A | Emollient-containing urea-based bath bead composition and the production thereof | DESOTO, INC. (US) | 1980-01-15 | — | — | US | disclosed |