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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.52 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.50 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.47 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.47 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.47 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.47 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.63 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.58 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.58 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.58 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GGPS1 | O95749 | 4/20 | 0.48 |
| ▸ | KDM5A | P29375 | 4/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.47 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.47 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
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 SCHEMBL29199994 | 1.00 | DNM1 (0.63) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| Water SCHEMBL21837348 | 0.97 | DNM1 (0.60) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL6444090 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL20746523 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL10410678 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL23502354 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL1276650 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL25463105 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL24103978 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL20746425 | 0.97 | DNM1 (0.67) | DNM1S1PR2S1PR1S1PR3S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001171-A | The manufacture method of compound | 住友化学株式会社 | 2017-08-01 | — | — | CN | disclosed |
| US-5318726-A | 3-hydroxy-2,2'-iminodisuccinic acid and water soluble salts; biodegradable, used in detergents | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1994-06-07 | — | — | US | disclosed |