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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.54 |
| ▸ | LTA4H | P09960 | 9/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | GRM8 | O00222 | 1/20 | 0.52 |
| ▸ | GRM6 | O15303 | 1/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
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 SCHEMBL28456938 | 1.00 | LTA4H (0.64) | LTA4HMEN1KMT2AMAPTHPGD | |
| SCHEMBL465891 | 0.99 | LTA4H (0.66) | LTA4HMEN1KMT2AMAPTHPGD | |
| SCHEMBL25334353 | 0.99 | LTA4H (0.66) | LTA4HMEN1KMT2AMAPTHPGD | |
| Iodide SCHEMBL10947428 | 0.97 | LTA4H (0.64) | LTA4HMEN1KMT2AMAPTHPGD | |
| Hydrochloric Acid SCHEMBL10950909 | 0.97 | LTA4H (0.64) | LTA4HMEN1KMT2AMAPTHPGD | |
| Hydrochloric Acid SCHEMBL25433519 | 0.97 | LTA4H (0.64) | LTA4HMEN1KMT2AMAPTHPGD | |
| Bromide SCHEMBL10946982 | 0.97 | LTA4H (0.64) | LTA4HMEN1KMT2AMAPTHPGD | |
| SCHEMBL10776901 | 0.91 | LTA4H (0.57) | LTA4HMEN1KMT2AMAPTHPGD | |
| SCHEMBL10776885 | 0.91 | LTA4H (0.57) | LTA4HMEN1KMT2AMAPTHPGD | |
| SCHEMBL5696921 | 0.88 | LTA4H (0.60) | LTA4HMEN1KMT2AMAPTHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1530905-A1 | A process for producing a food having a decreased bulk | Kao Corporation (JP) | 2005-05-18 | — | — | EP | disclosed |
| US-5846585-A | Process for increasing the bulk of food having decreased bulk | KAO CORPORATION (JP) | 1998-12-08 | — | — | US | disclosed |
| EP-0756824-A1 | METHOD FOR INCREASING THE BULK OF FOOD HAVING REDUCED BULK | Kao Corporation (JP) | 1997-02-05 | — | — | EP | disclosed |
| US-5190862-A | Peptide modified compound | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-02 | — | — | US | disclosed |
| US-5108890-A | Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials | BOEHRINGER MANNHEIM GMBH (DE) | 1992-04-28 | — | — | US | disclosed |