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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 6/20 | 0.46 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 4/20 | 0.36 |
| ▸ | LAP3 | P28838 | 3/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8713308 | 0.97 | FDPS (0.48) | FDPSKDM4EMMP2THRBMAPK1 | |
| SCHEMBL8709594 | 0.97 | FDPS (0.48) | FDPSKDM4EMMP2THRBMAPK1 | |
| SCHEMBL250204 | 0.93 | FDPS (0.50) | FDPSKDM4EMMP2THRBMAPK1 | |
| SCHEMBL29449121 | 0.90 | FDPS (0.48) | FDPSKDM4EMMP2THRBMAPK1 | |
| Water SCHEMBL8015711 | 0.81 | FDPS (0.37) | FDPSGGPS1 | |
| SCHEMBL20699852 | 0.78 | FDPS (0.43) | FDPSKDM4EMMP2THRBMAPK1 | |
| SCHEMBL8709597 | 0.77 | FDPS (0.39) | FDPSKDM4EMMP2THRBMAPK1 | |
| Water SCHEMBL21253128 | 0.77 | ANPEP (0.41) | FDPSANPEPLAP3ERAP1ERAP2 | |
| SCHEMBL12570892 | 0.75 | ANPEP (0.56) | FDPSANPEPLAP3ERAP1GGPS1 | |
| SCHEMBL10619694 | 0.73 | FDPS (0.46) | FDPSKDM4EMMP2THRBMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090366-A | Process for the preparation of an organ specific antibodies labeled with technetium-99m | CIS BIO INTERNATIONAL (FR) | 2000-07-18 | — | — | US | disclosed |
| US-5863517-A | Process for the preparation of an organ-specific substance labeled with technetium-99m | CIS BIO INTERNATIONAL (FR) | 1999-01-26 | — | — | US | disclosed |