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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.30 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
| ▸ | MUS81 | Q96NY9 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059031 | 0.97 | CA1 (0.33) | CA1CA2CA4UCHL1UCHL3 | |
| SCHEMBL7869952 | 0.97 | CA1 (0.33) | CA1CA2CA4UCHL1UCHL3 | |
| SCHEMBL8059878 | 0.97 | CA1 (0.33) | CA1CA2CA4UCHL1UCHL3 | |
| SCHEMBL7869956 | 0.89 | CA1 (0.36) | CA1CA2CA4ALDH1A1 | |
| SCHEMBL3341501 | 0.78 | CA1 (0.32) | CA1CA2CA4ALDH1A1TSHR | |
| SCHEMBL6449656 | 0.78 | CA1 (0.32) | CA1CA2CA4ALDH1A1TSHR | |
| SCHEMBL2204192 | 0.78 | ALDH1A1 (0.35) | CA1CA2CA4ALDH1A1 | |
| Water SCHEMBL6853412 | 0.78 | ALDH1A1 (0.41) | UCHL1UCHL3ECE1MUS81ALDH1A1 | |
| SCHEMBL38652792 | 0.74 | CA1 (0.31) | CA1CA2CA4ALDH1A1 | |
| SCHEMBL4705260 | 0.73 | ALDH1A1 (0.33) | CA1CA2CA4ALDH1A1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6303743-B1 | Polyimide for optical communications, method of preparing the same, and method of forming multiple polyimide film using the polyimide | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2001-10-16 | — | — | US | disclosed |
| US-6100371-A | Polyimide for optical communications and method for preparing the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2000-08-08 | — | — | US | disclosed |
| US-6077928-A | Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2000-06-20 | — | — | US | disclosed |
| US-6031061-A | Bis (triaklyltrimellitic anhydride) derivative and polyesterimide for optical communications formed therefrom | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2000-02-29 | — | — | US | disclosed |
| US-6028159-A | Polyamideimide for optical communications and method for preparing the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2000-02-22 | — | — | US | disclosed |
| US-6013759-A | Polyamideimide for optical communications and method for preparing the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2000-01-11 | — | — | US | disclosed |