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 | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.52 |
| ▸ | OPRD1 known ✓ | P41143 | 2/20 | 0.49 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.49 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 8/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.55 |
| ▸ | YARS1 | P54577 | 2/20 | 0.53 |
| ▸ | CPA1 | P15085 | 1/20 | 0.52 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7149290 | 0.96 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL30326195 | 0.96 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL7149294 | 0.96 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL31025679 | 0.92 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL30287993 | 0.92 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL30287990 | 0.92 | MME (0.60) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL30788342 | 0.90 | MME (0.54) | MMESLC7A5YARS1ACECPA1 | |
| SCHEMBL29721184 | 0.89 | NPY4R (0.58) | MMEACEOPRD1OPRM1 | |
| SCHEMBL30288033 | 0.89 | MME (0.66) | MMEACEOPRD1OPRM1OPRK1 | |
| SCHEMBL30288043 | 0.89 | MME (0.66) | MMEACEOPRD1OPRM1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6528292-B1 | Derivatized polystyrene and other polymer supports for spectroscopic studies | AVENTIS PHARMACEUTICALS HOLDINGS INC. | 2003-03-04 | — | — | US | disclosed |
| EP-0145386-B1 | DERIVATIZED POLYSTYRENE AND OTHER POLYMER SUPPORTS FOR SPECTROSCOPIC STUDIES | CITY OF HOPE NATIONAL MEDICAL CENTER (US) | 1991-05-15 | — | — | EP | disclosed |
| US-4978724-A | Method of preparing derivatized polystyrene for spectroscopic studies | APPLIED IMMUNESCIENCES, INC. (US) | 1990-12-18 | — | — | US | disclosed |
| EP-0145386-A2 | Derivatized polystyrene and other polymer supports for spectroscopic studies | CITY OF HOPE NATIONAL MEDICAL CENTER (US) | 1985-06-19 | — | — | EP | disclosed |