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 | 0.46 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.42 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.42 |
| ▸ | GRIA2 known ✓ | P42262 | 1/20 | 0.42 |
| ▸ | GRIA3 known ✓ | P42263 | 1/20 | 0.42 |
| ▸ | GRIA4 known ✓ | P48058 | 1/20 | 0.42 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.42 |
| ▸ | GRIK2 known ✓ | Q13002 | 1/20 | 0.42 |
| ▸ | GRIK3 known ✓ | Q13003 | 1/20 | 0.42 |
| ▸ | GRIK5 known ✓ | Q16478 | 1/20 | 0.42 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.50 |
| ▸ | KDM4A | O75164 | 2/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.50 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.50 |
| ▸ | TET3 | O43151 | 1/20 | 0.50 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.42 |
| ▸ | GABRD | O14764 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8655218 | 0.97 | — | — | |
| SCHEMBL326464 | 0.97 | — | — | |
| SCHEMBL23927578 | 0.97 | — | — | |
| Bicarbonate SCHEMBL9800960 | 0.95 | TET2 (0.50) | TET2KDM4AKDM4CKDM2ATET3 | |
| Acetic Acid SCHEMBL5857865 | 0.90 | TET2 (0.46) | TET2KDM4AKDM4CKDM2ATET3 | |
| Acetic Acid SCHEMBL524136 | 0.90 | TET2 (0.46) | TET2KDM4AKDM4CKDM2ATET3 | |
| SCHEMBL9302022 | 0.85 | TET2 (0.46) | TET2KDM4AKDM4CKDM2ATET3 | |
| SCHEMBL10614825 | 0.83 | TET2 (0.60) | TET2KDM4AKDM4CKDM2ATET3 | |
| SCHEMBL1919775 | 0.82 | FFAR4 (0.52) | TET2KDM4AKDM4CKDM2ATHRB | |
| SCHEMBL399380 | 0.82 | FFAR4 (0.52) | TET2KDM4AKDM4CKDM2ATHRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040048235-A1 | Methods and compositions for the selective modification of nucleic acids | V.I. TECHNOLOGIES, INC. | 2004-03-11 | — | — | US | disclosed |