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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL465093 | 0.98 | CA12 (0.48) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL27896468 | 0.96 | CA12 (0.46) | CA12CA7CA14SMN1; SMN2TSHR | |
| Water SCHEMBL27737003 | 0.83 | CA12 (0.42) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL21625543 | 0.83 | CA1 (0.42) | SMN1; SMN2TSHRL3MBTL1ALDH1A1HSD17B10 | |
| SCHEMBL709157 | 0.82 | CA12 (0.45) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL27263918 | 0.81 | CA12 (0.43) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL465059 | 0.79 | SMN1; SMN2 (0.46) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL4284749 | 0.79 | GAA (0.41) | TSHRL3MBTL1ALDH1A1KDM4EHTT | |
| SCHEMBL13968028 | 0.74 | CA12 (0.54) | CA12CA7CA14SMN1; SMN2TSHR | |
| SCHEMBL5006830 | 0.73 | KDM4E (0.42) | ALDH1A1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106659151-A | Isolated Organ Care System | 特兰斯迈迪茨公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-104838001-A | Engineered transgene integration platform (ETIP) for gene targeting and trait stacking | DOW AGROSCIENCES LLC | 2015-08-12 | — | — | CN | disclosed |
| CN-103119173-B | Method for monitoring a sterilization process | AMERICAN STERILIZER CO | 2015-03-04 | — | — | CN | disclosed |
| CN-104263805-A | Method For Monitoring A Sterilization Process | AMERICAN STERILIZER CO | 2015-01-07 | — | — | CN | disclosed |
| CN-102272597-B | Analyte detection assay | GENERA BIOSYSTEMS LTD | 2014-05-07 | — | — | CN | disclosed |
| CN-103119173-A | Method for monitoring a sterilization process | AMERICAN STERILIZER CO | 2013-05-22 | — | — | CN | disclosed |
| CN-101267830-B | Growth hormone secretagogues | IPSEN PHARMA SAS | 2012-02-29 | — | — | CN | disclosed |
| CN-101267830-A | Growth hormone secretagogues | SOD CONSEILS RECH APPLIC (FR) | 2008-09-17 | — | — | CN | disclosed |