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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 5/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.48 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 11/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 6/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 5/20 | 0.36 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
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 SCHEMBL6034325 | 1.00 | GSR (0.48) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL1645758 | 0.98 | GSR (0.50) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL1173223 | 0.98 | GSR (0.50) | GSRGNAI3GNAO1GNAI1DPP7 | |
| Hydrochloric Acid SCHEMBL11573551 | 0.97 | GSR (0.48) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL28831704 | 0.97 | GSR (0.48) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL28831690 | 0.97 | GSR (0.48) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL5532328 | 0.93 | GSR (0.42) | GSRGNAI3GNAO1GNAI1DPP7 | |
| Water SCHEMBL5501375 | 0.93 | GSR (0.52) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL6850412 | 0.93 | GSR (0.42) | GSRGNAI3GNAO1GNAI1DPP7 | |
| SCHEMBL8508994 | 0.92 | GSR (0.47) | GSRGNAI3GNAO1GNAI1DPP7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754463-B1 | Stabilized aqueous liquid preparation of blood coagulation factor XIII | HOECHST JAPAN (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-6084074-A | MIXTURES OF RECOMBINANT FACTOR WITH AT LEAST ONE STABILIZING AGENT OF GALACTOSE, SUCROSE, GLUTAMATE, ASPARTATE AND HISTIDINE; INCREASED STORAGE STABILITY; FOR TREATMENT OF FACTOR XIII DEFICIENCY DISORDERS | CENTEON PHARMA GMBH (DE) | 2000-07-04 | — | — | US | disclosed |
| EP-0754463-A2 | Stabilized aqueous liquid preparation of blood coagulation factor XIII | HOECHST JAPAN LIMITED (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-4052372-A | FROM LYSINE GLUTAMATE | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1977-10-04 | — | — | US | disclosed |