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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 SCHEMBL4595531 | 1.00 | MME (0.44) | MMECA12CA9GAAPOLB | |
| SCHEMBL344918 | 0.98 | MME (0.45) | MMECA12CA9GAAPOLB | |
| SCHEMBL3488827 | 0.98 | MME (0.45) | MMECA12CA9GAAPOLB | |
| SCHEMBL344919 | 0.98 | MME (0.45) | MMECA12CA9GAAPOLB | |
| Ammonia Solution, Strong SCHEMBL3276907 | 0.96 | MME (0.44) | MMECA12CA9GAAPOLB | |
| SCHEMBL28770012 | 0.96 | MME (0.44) | MMECA12CA9GAAPOLB | |
| Methane SCHEMBL9693759 | 0.96 | MME (0.44) | MMECA12CA9GAAPOLB | |
| Cadaverine Tartrate SCHEMBL30645547 | 0.91 | MME (0.41) | MMECA12CA9GAAPOLB | |
| Cadaverine Tartrate SCHEMBL27541361 | 0.91 | MME (0.41) | MMECA12CA9GAAPOLB | |
| Glycine SCHEMBL9680814 | 0.89 | GAA (0.41) | MMECA12CA9GAAPOLB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425092-B1 | GENERATION OF ION-EXCHANGE MEDIA | GE HEALTHCARE BIO SCIENCES AB (SE) | 2008-01-16 | — | — | EP | disclosed |
| US-7067059-B2 | Generation of ion exchanger media | GE HEALTHCARE BIO-SCIENCES AB (SE) | 2006-06-27 | — | — | US | disclosed |
| US-20040238446-A1 | Cationic ligand coupling to base matrix; using homocysteine thiolactone | CYTIVA BIOPROCESS R&D AB (SE) | 2004-12-02 | — | — | US | disclosed |
| EP-1425092-A1 | GENERATION OF ION EXCHANGER MEDIA | Amersham Biosciences AB (SE) | 2004-06-09 | — | — | EP | disclosed |
| WO-2003024588-A1 | GENERATION OF ION EXCHANGER MEDIA | AMERSHAM BIOSCIENCES AB (SE) | 2003-03-27 | — | — | WO | disclosed |
| EP-0164389-B1 | PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES | ALKALOIDA VEGYéSZETI GYáR (HU) | 1987-04-01 | — | — | EP | disclosed |
| EP-0164389-A1 | PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES. | ALKALOIDA VEGYESZETI GYAR (HU) | 1985-12-18 | — | — | EP | disclosed |
| WO-1985002609-A1 | PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES | ALKALOIDA VEGYÉSZETI GYÁR (HU) | 1985-06-20 | — | — | WO | disclosed |
| US-4096180-A | Fluorodehydroxylation of serine | MERCK & CO., INC. (US) | 1978-06-20 | — | — | US | disclosed |