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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 SCHEMBL9150589 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL4375705 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL15068042 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL719719 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL2025101 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL4378846 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL7264813 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL194819 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL60878 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL22204649 | 0.94 | MEN1 (0.60) | MEN1KMT2ACA5ACA5BTSHR |
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-1812161-B1 | a process for the preparation of SHAPED BODIES CONTAINING METAL-ORGANIC FRAMEWORKS | BASF SE (DE) | 2020-04-01 | — | — | EP | disclosed |
| EP-1651903-B1 | METHOD FOR STORING GAS UNDER PRESSURE USING ADSORBENT COMPRISING BIDENTATE ORGANIC COMPUND | BASF SE (DE) | 2019-04-17 | — | — | EP | disclosed |
| EP-1513849-B1 | SHAPED BODIES CONTAINING METAL-ORGANIC FRAMEWORKS | BASF SE (DE) | 2016-07-13 | — | — | EP | disclosed |
| EP-2662609-A2 | Gas storage system | BASF SE (DE) | 2013-11-13 | — | — | EP | disclosed |
| EP-1440106-B1 | PROCESS FOR THE ALKOXYLATION OF ORGANIC COMPOUNDS IN THE PRESENCE OF NOVEL FRAMEWORK MATERIALS | BASF SE (DE) | 2011-11-30 | — | — | EP | disclosed |
| US-7931960-B2 | Shaped bodies containing metal-organic frameworks | BASF AKTIENGESELLSCHAFT (DE) | 2011-04-26 | — | — | US | disclosed |
| EP-1658257-B1 | PROCESS FOR THE ALKOXYLATION OF MONOOLS IN THE PRESENCE OF METALLO-ORGANIC FRAMEWORK MATERIALS | BASF SE (DE) | 2009-11-18 | — | — | EP | disclosed |
| US-20090155588-A1 | SHAPED BODIES CONTAINING METAL-ORGANIC FRAMEWORKS | BASF AKTIENGESELLSCHAFT (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7524444-B2 | Shaped bodies containing metal-organic frameworks | BASF AKTIENGESELLSCHAFT (DE) | 2009-04-28 | — | — | US | disclosed |
| EP-1770121-B1 | Pneumatic tire having a rubber component containing zinc organic framework material | GOODYEAR TIRE & RUBBER (US) | 2008-10-01 | — | — | EP | disclosed |
| US-7309380-B2 | Gas storage system | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-18 | — | — | US | disclosed |
| EP-1812161-A1 | SHAPED BODIES CONTAINING METAL-ORGANIC FRAMEWORKS | BASF AKTIENGESELLSCHAFT (DE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1770121-A1 | Pneumatic tire having a rubber component containing zinc organic framework material | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2007-04-04 | — | — | EP | disclosed |
| US-20070062625-A1 | Pneumatic tire having a rubber component containing zinc organic framework material | KOSTER GEORGES | 2007-03-22 | — | — | US | disclosed |
| WO-2006050898-A1 | SHAPED BODIES CONTAINING METAL-ORGANIC FRAMEWORKS | BASF AKTIENGESELLSCHAFT (DE) | 2006-05-18 | — | — | WO | disclosed |
| US-20060099398-A1 | Shaped bodies containing metal-organic frameworks | BASF AKTIENGESELLSCHAFT (DE) | 2006-05-11 | — | — | US | disclosed |