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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.50 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.36 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 1/20 | 0.36 |
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 SCHEMBL1536886 | 1.00 | TSHR (0.60) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| Water SCHEMBL1238257 | 1.00 | TSHR (0.60) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| Water SCHEMBL30394765 | 0.98 | TSHR (0.62) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| SCHEMBL6569261 | 0.98 | TSHR (0.62) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| SCHEMBL301148 | 0.98 | TSHR (0.62) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| Water SCHEMBL570669 | 0.98 | TSHR (0.62) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| Water SCHEMBL31317713 | 0.96 | TSHR (0.60) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| Water SCHEMBL29709688 | 0.96 | TSHR (0.60) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| SCHEMBL718256 | 0.96 | TSHR (0.65) | TSHRSMN1; SMN2CYP2D6POLBTDP1 | |
| SCHEMBL996850 | 0.96 | TSHR (0.65) | TSHRSMN1; SMN2CYP2D6POLBTDP1 |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240218443-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | ILLUMINA, INC. | 2024-07-04 | — | — | US | claimed |
| WO-2024137774-A1 | PALLADIUM CATALYST COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS | ILLUMINA, INC. (US) | 2024-06-27 | — | — | WO | claimed |
| EP-4341434-A1 | COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS | Illumina, Inc. (US) | 2024-03-27 | — | — | EP | claimed |
| US-20220396832-A1 | COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2022-12-15 | — | — | US | claimed |
| US-12043637-B2 | Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing | ILLUMINA CAMBRIDGE LIMITED (GB) | 2024-07-23 | — | — | US | disclosed |
| US-12031178-B2 | Cyclooctatetraene containing dyes and compositions | ILLUMINA CAMBRIDGE LIMITED (GB) | 2024-07-09 | — | — | US | disclosed |
| US-20240218443-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | ILLUMINA, INC. | 2024-07-04 | — | — | US | disclosed |
| US-20240209015-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | ILLUMINA, INC. | 2024-06-27 | — | — | US | disclosed |
| WO-2024137774-A1 | PALLADIUM CATALYST COMPOSITIONS AND METHODS FOR SEQUENCING BY SYNTHESIS | ILLUMINA, INC. (US) | 2024-06-27 | — | — | WO | disclosed |
| US-20240182963-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | ILLUMINA, INC. | 2024-06-06 | — | — | US | disclosed |
| US-20240150827-A1 | NUCLEOTIDES WITH A 3' AOM BLOCKING GROUP | ILLUMINA CAMBRIDGE LIMITED (GB) | 2024-05-09 | — | — | US | disclosed |
| US-20240140939-A1 | COMPOSITIONS AND METHODS FOR REDUCING PHOTO DAMAGE DURING SEQUENCING | ILLUMINA, INC. | 2024-05-02 | — | — | US | disclosed |
| US-20210403500-A1 | NUCLEOSIDES AND NUCLEOTIDES WITH 3' ACETAL BLOCKING GROUP | ILLUMINA CAMBRIDGE LIMITED (GB) | 2021-12-30 | — | — | US | disclosed |
| EP-3902814-A2 | NUCLEOSIDES AND NUCLEOTIDES WITH 3'-HYDROXY BLOCKING GROUPS AND THEIR USE IN POLYNUCLEOTIDE SEQUENCING METHODS | Illumina Cambridge Limited (GB) | 2021-11-03 | — | — | EP | disclosed |
| WO-2021104845-A1 | CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2021-06-03 | — | — | WO | disclosed |
| US-20210155983-A1 | CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2021-05-27 | — | — | US | disclosed |
| EP-3794012-A1 | COMPOSITIONS AND METHODS FOR CHEMICAL CLEAVAGE AND DEPROTECTION OF SURFACE-BOUND OLIGONUCLEOTIDES | Illumina Inc. (US) | 2021-03-24 | — | — | EP | disclosed |
| US-20200216891-A1 | NUCLEOSIDES AND NUCLEOTIDES WITH 3'-HYDROXY BLOCKING GROUPS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2020-07-09 | — | — | US | disclosed |
| WO-2020136170-A2 | NUCLEOSIDES AND NUCLEOTIDES WITH 3'-HYDROXY BLOCKING GROUPS | ILLUMINA CAMBRIDGE LIMITED (GB) | 2020-07-02 | — | — | WO | disclosed |
| US-20190352327-A1 | COMPOSITIONS AND METHODS FOR CHEMICAL CLEAVAGE AND DEPROTECTION OF SURFACE-BOUND OLIGONUCLEOTIDES | ILLUMINA, INC. | 2019-11-21 | — | — | US | 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 (8 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-20210403500-A1 | NUCLEOSIDES AND NUCLEOTIDES WITH 3' ACETAL BLOCKING GROUP | DUT, ADAR, NT5C3B | ESR1 2861/4885ESR2 4151/4885HTR6 2872/4885 |
| US-12043637-B2 | Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing | BLVRB, BCDIN3D, FOSB | ESR1 791/4885ESR2 2169/4885HTR6 1961/4885 |
| US-20240140939-A1 | COMPOSITIONS AND METHODS FOR REDUCING PHOTO DAMAGE DURING SEQUENCING | OGG1, POLL, POLRMT | ESR1 913/4885ESR2 2711/4885HTR6 2508/4885 |
| US-20240150827-A1 | NUCLEOTIDES WITH A 3' AOM BLOCKING GROUP | NT5C3B, NSUN2, RNMT | ESR1 428/4885ESR2 819/4885HTR6 1846/4885 |
| US-20200216891-A1 | NUCLEOSIDES AND NUCLEOTIDES WITH 3'-HYDROXY BLOCKING GROUPS | NT5C3B, DUT, NUDT1 | ESR1 2619/4885ESR2 3833/4885HTR6 1290/4885 |
| US-20240182963-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | NT5C3B, RNGTT, ALKBH1 | ESR1 3042/4885ESR2 4300/4885HTR6 2116/4885 |
| US-20190352327-A1 | COMPOSITIONS AND METHODS FOR CHEMICAL CLEAVAGE AND DEPROTECTION OF SURFACE-BOUND OLIGONUCLEOTIDES | SNRPB2, NUDT21, DNMT3B | ESR1 3728/4885ESR2 4668/4885HTR6 4753/4885 |
| US-20240209015-A1 | METHODS OF SEQUENCING USING 3' BLOCKED NUCLEOTIDES | RNGTT, NT5C3B, NSUN2 | ESR1 2590/4885ESR2 4197/4885HTR6 2512/4885 |
“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.