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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.68 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.68 |
| ▸ | HNF4A | P41235 | 2/20 | 0.68 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.68 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.59 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.59 |
| ▸ | CDC25B | P30305 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | IKBKB | O14920 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL68982 | 0.98 | ACMSD (0.70) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| SCHEMBL30616786 | 0.98 | ACMSD (0.70) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Methane SCHEMBL29008389 | 0.96 | ACMSD (0.68) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Hydrochloric Acid SCHEMBL11162468 | 0.96 | ACMSD (0.68) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| SCHEMBL28279304 | 0.94 | ACMSD (0.67) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| SCHEMBL30365332 | 0.94 | ACMSD (0.67) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Formaldehyde SCHEMBL29008382 | 0.94 | ACMSD (0.66) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Sulfur Dioxide SCHEMBL29008373 | 0.92 | ACMSD (0.63) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Water SCHEMBL4330613 | 0.91 | KMT2A (0.60) | ACMSDHNF4ADHFRMCL1DCLRE1A | |
| Benzene SCHEMBL3623695 | 0.91 | KMT2A (0.60) | ACMSDHNF4ADHFRMCL1DCLRE1A |
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-116194435-A | Fluorine-containing diamine or salt thereof, method for producing fluorine-containing diamine or salt thereof, polyamide, method for producing polyamide, polyamide solution, polyamide cyclized body, method for producing polyamide cyclized body, insulating material for high-frequency electronic component, method for producing insulating material for high-frequency electronic component, high-frequency machine, and insulating material for producing high-frequency electronic component | 中央硝子株式会社 | 2023-05-30 | — | — | CN | disclosed |
| CN-116075424-A | Polybenzoxazole, polyamide solution, insulating material for high-frequency electronic parts, high-frequency device, insulating material for high-frequency electronic parts production, process for producing polyamide, process for producing polybenzoxazole, process for producing insulating material for high-frequency electronic parts, and diamine or salt thereof | 中央硝子株式会社 | 2023-05-05 | — | — | CN | disclosed |