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 | |
|---|---|---|---|---|
| ▸ | PKLR known ✓ | P30613 | 3/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | PARG | Q86W56 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10708659 | 0.98 | PKLR (0.47) | PKLRMAPK1SMN1; SMN2PARGNPC1 | |
| SCHEMBL3299382 | 0.79 | BCL2 (0.48) | PKLRMAPK1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6795080 | 0.77 | CA2 (0.58) | MAPK1SMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL10489419 | 0.75 | MEN1 (0.55) | MAPK1SMN1; SMN2NPC1ALDH1A1RAB9A | |
| Water SCHEMBL1976332 | 0.74 | PKLR (0.60) | PKLRMAPK1SMN1; SMN2PARGNPC1 | |
| SCHEMBL974456 | 0.74 | CA2 (0.63) | MAPK1SMN1; SMN2TDP1F11MEN1 | |
| Water SCHEMBL30203790 | 0.74 | PKLR (0.60) | PKLRMAPK1SMN1; SMN2PARGNPC1 | |
| Anthraquinone SCHEMBL30252408 | 0.73 | MAPT (0.47) | PKLRNPC1ALDH1A1RAB9AMEN1 | |
| Anthraquinone SCHEMBL5082838 | 0.72 | MEN1 (0.71) | PKLRMAPK1SMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL32662068 | 0.72 | PKLR (0.62) | PKLRMAPK1SMN1; SMN2PARGNPC1 |
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-11378546-B2 | PH Meter | PARKER HANNIFIN CORP (US) | 2022-07-05 | — | — | US | disclosed |
| EP-3734264-A1 | PH METER | Parker Hannifin Corporation (US) | 2020-11-04 | — | — | EP | disclosed |
| US-20200064307-A1 | pH METER | PARKER HANNIFIN CORP (US) | 2020-02-27 | — | — | US | disclosed |
| US-20150346144-A1 | PH METER | PARKER-HANNIFIN CORPORATION | 2015-12-03 | — | — | US | disclosed |
| EP-2939011-A1 | PH METER | Senova Systems, Inc. (US) | 2015-11-04 | — | — | EP | disclosed |
| WO-2014106066-A1 | PH METER | SENOVA SYSTEMS, INC. (US) | 2014-07-03 | — | — | WO | disclosed |