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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.46 |
| ▸ | GRIK1 known ✓ | P39086 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CDC25B | P30305 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.52 |
| ▸ | CDC25A | P30304 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL76089 | 0.98 | AKR1C3 (0.67) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Ammonia Solution, Strong SCHEMBL11271162 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Hydrochloric Acid SCHEMBL8852537 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Hydrochloric Acid SCHEMBL8925671 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Hydrochloric Acid SCHEMBL28386965 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Hydrochloric Acid SCHEMBL10800610 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Pyromellitic Acid SCHEMBL1639949 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| SCHEMBL6890474 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| SCHEMBL9222901 | 0.96 | AKR1C3 (0.64) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B | |
| Glycerin SCHEMBL9723267 | 0.85 | AKR1C3 (0.51) | AKR1C3CYP2C8CYP2C9KDM4ECDC25B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114746522-A | Primer composition | 三键有限公司 | 2022-07-12 | — | — | CN | disclosed |
| US-20150380123-A1 | PROCESS FOR PRODUCING CONDUCTIVE COATING FILM, AND CONDUCTIVE COATING FILM | TODA KOGYO CORP. (JP) | 2015-12-31 | — | — | US | disclosed |
| US-6436467-B1 | Flexible printed board and method of manufacturing same | SONY CHEMICALS CORPORATION (JP) | 2002-08-20 | — | — | US | disclosed |
| US-6362433-B1 | Flexible printed circuit board | SONY CHEMICALS CORPORATION (JP) | 2002-03-26 | — | — | US | disclosed |