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 | 1/20 | 0.43 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27317305 | 1.00 | — | — | |
| Water SCHEMBL28159820 | 1.00 | GRM5 (0.48) | GRM5KDM4ELMNACCR1CCR5 | |
| Water SCHEMBL30181094 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30009514 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28211024 | 0.97 | — | — | |
| SCHEMBL29472848 | 0.97 | — | — | |
| SCHEMBL29599136 | 0.97 | KDM4E (0.50) | GRM5KDM4ELMNACCR1CCR5 | |
| SCHEMBL16322907 | 0.97 | KDM4E (0.50) | GRM5KDM4ELMNACCR1CCR5 | |
| SCHEMBL4733426 | 0.97 | KDM4E (0.50) | GRM5KDM4ELMNACCR1CCR5 | |
| SCHEMBL2684 | 0.97 | — | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546162-B1 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORP (US) | 2011-06-22 | — | — | EP | claimed |
| US-7692022-B2 | Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations | PROMEGA CORPORATION (US) | 2010-04-06 | — | — | US | claimed |
| EP-1546162-A4 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORP (US) | 2007-07-18 | — | — | EP | claimed |
| EP-1546162-A2 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORPORATION (US) | 2005-06-29 | — | — | EP | claimed |
| US-20040171099-A1 | Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations | PROMEGA CORPORATION | 2004-09-02 | — | — | US | claimed |
| WO-2004027378-A2 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORPORATION (US) | 2004-04-01 | — | — | WO | claimed |
| CN-107849594-B | Deamination of organophosphorus nucleosides | 科技学专业学院有限公司 | 2022-01-18 | — | — | CN | disclosed |
| US-10745365-B2 | Luminogenic and fluorogenic compounds and methods to detect molecules or conditions | PROMEGA CORPORATION (US) | 2020-08-18 | — | — | US | disclosed |
| EP-3312292-B1 | LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS | PROMEGA CORP (US) | 2019-09-25 | — | — | EP | disclosed |
| CN-110249052-A | Synthetic guide molecules, compositions, and methods related thereto | 爱迪塔斯医药公司 | 2019-09-17 | — | — | CN | disclosed |
| US-10408819-B2 | Luminescence-based methods and probes for measuring cytochrome P450 activity | PROMEGA CORPORATION (US) | 2019-09-10 | — | — | US | disclosed |
| EP-1885875-B1 | LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS | PROMEGA CORP (US) | 2019-05-22 | — | — | EP | disclosed |
| US-20190031629-A1 | LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS | JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT | 2019-01-31 | — | — | US | disclosed |
| WO-2006130551-A2 | LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS | PROMEGA CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |
| US-20060223744-A1 | Antibody or antibody fragment which binds specifically to a normal or transformed PSA glycan or glycopeptide | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2006-10-05 | — | — | US | disclosed |
| EP-1570056-A2 | PROSTATE SPECIFIC ANTIGENS, CONJUGATES THEREOF, METHODS FOR THEIR PREPARATION AND USES THEREOF. | Sloan-Kettering Institute For Cancer Research (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1546162-A2 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORPORATION (US) | 2005-06-29 | — | — | EP | disclosed |
| US-20040171099-A1 | Using luciferin derivatives for analyzing metabolic activity in animals, cells or in cell-free reaction formulations | PROMEGA CORPORATION | 2004-09-02 | — | — | US | disclosed |
| WO-2004060915-A2 | PROSTATE SPECIFIC ANTIGENS, CONJUGATES THEREOF, METHODS FOR THEIR PREPARATION AND USES THEREOF. | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2004-07-22 | — | — | WO | disclosed |
| WO-2004027378-A2 | LUMINESCENCE-BASED METHODS AND PROBES FOR MEASURING CYTOCHROME P450 ACTIVITY | PROMEGA CORPORATION (US) | 2004-04-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10745365-B2 | Luminogenic and fluorogenic compounds and methods to detect molecules or conditions | GLB1, NOD1, PYCARD | MEN1 286/4885HDAC8 4764/4885GRM5 4375/4885 |
| US-20060223744-A1 | Antibody or antibody fragment which binds specifically to a normal or transformed PSA glycan or glycopeptide | KLK3, MAN2B2, PA2G4 | MEN1 888/4885HDAC8 2689/4885GRM5 3464/4885 |
| US-10408819-B2 | Luminescence-based methods and probes for measuring cytochrome P450 activity | CYP3A7, CYP3A43, CYP3A5 | MEN1 4140/4885HDAC8 4002/4885GRM5 2960/4885 |
| US-20190031629-A1 | LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS | GLB1, NOD1, PYCARD | MEN1 286/4885HDAC8 4764/4885GRM5 4375/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.