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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.35 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.35 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.33 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
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 SCHEMBL20856749 | 0.83 | CHRM2 (0.39) | NR4A2CHRM2CHRM4CHRM5ADRA2A | |
| Water SCHEMBL22390082 | 0.82 | RAB9A (0.36) | MAPT | |
| Water SCHEMBL14739890 | 0.76 | CCR1 (0.52) | NR4A2ADRA1D | |
| SCHEMBL8754565 | 0.66 | CHKA (0.37) | TDP1CHKA | |
| SCHEMBL18961834 | 0.66 | GAA (0.56) | NR4A2CHRM2CHRM1ADRA2CKCNH2 | |
| SCHEMBL5892434 | 0.65 | POLB (0.38) | NQO2LMNAMAPTCHKA | |
| Iodide SCHEMBL2551843 | 0.65 | CHKA (0.36) | NR4A2CHKA | |
| Iodide SCHEMBL5892308 | 0.64 | POLB (0.37) | NR4A2LMNACHKA | |
| SCHEMBL20856949 | 0.63 | RAB9A (0.39) | CYP2D6CYP2C19APPLMNAKDM4E | |
| SCHEMBL8722744 | 0.62 | CHKA (0.34) | CHKA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | WASHINGTON UNIVERSITY (US) | 2025-03-11 | — | — | US | disclosed |
| US-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | WASHINGTON UNIVERSITY | 2023-08-31 | — | — | US | disclosed |
| US-20200283820-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | WASHINGTON UNIVERSITY | 2020-09-10 | — | — | US | disclosed |
| US-20190298841-A1 | Nucleic Acid Complexes | PROCARTA BIOSYSTEMS LTD (GB) | 2019-10-03 | — | — | US | disclosed |
| US-10350299-B2 | Nucleic acid complexes | PROCARTA BIOSYSTEMS LTD. (GB) | 2019-07-16 | — | — | US | disclosed |
| US-20170340745-A1 | NUCLEIC ACID COMPLEXES | PROCARTA BIOSYSTEMS LTD. (GB) | 2017-11-30 | — | — | US | disclosed |
| US-9669101-B2 | Nucleic acid complexes | PROCARTA BIOSYSTEMS LTD (GB) | 2017-06-06 | — | — | US | disclosed |
| US-9550991-B2 | Transcription factor decoys | PROCARTA BIOSYSTEMS LTD. (GB) | 2017-01-24 | — | — | US | disclosed |
| EP-2552455-B1 | TRANSCRIPTION FACTOR DECOYS | PROCARTA BIOSYSTEMS LTD (GB) | 2016-12-28 | — | — | EP | disclosed |
| US-20150196652-A1 | NUCLEIC ACID COMPLEXES | PROCARTA BIOSYSTEMS LTD (GB) | 2015-07-16 | — | — | US | disclosed |
| US-9024005-B2 | Nucleic acid complexes | PROCARTA BIOSYSTEMS LTD (GB) | 2015-05-05 | — | — | US | disclosed |
| US-20140274800-A1 | TRANSCRIPTION FACTOR DECOYS FOR THE TREATMENT AND PREVENTION OF INFECTIONS CAUSED BY BACTERIA INCLUDING CLOSTRIDIUM DIFFICILE | PROCARTA BIOSYSTEMS LTD. (GB) | 2014-09-18 | — | — | US | disclosed |
| US-20130252881-A1 | Transcription Factor Decoys | PROCARTA BIOSYSTEMS LTD. (GB) | 2013-09-26 | — | — | US | disclosed |
| US-20130059775-A1 | Nucleic Acid Complexes | PROCARTA BIOSYSTEMS LTD (GB) | 2013-03-07 | — | — | 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-20230272449-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | NADK, NAPRT, TIPARP | CHRM2 4669/4885CHRM4 4612/4885CHRM5 4674/4885 |
| US-10350299-B2 | Nucleic acid complexes | ZFR, SUB1, RELA | CHRM2 4885/4885CHRM4 4873/4885CHRM5 4870/4885 |
| US-12247246-B2 | Identification of inhibitors of TcpC and TIR NADase activity | NADK, NAPRT, TIPARP | CHRM2 4669/4885CHRM4 4612/4885CHRM5 4674/4885 |
| US-20170340745-A1 | NUCLEIC ACID COMPLEXES | ZFR, SUB1, RELA | CHRM2 4885/4885CHRM4 4873/4885CHRM5 4870/4885 |
| US-20200283820-A1 | IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY | NADK, NAPRT, TIPARP | CHRM2 4669/4885CHRM4 4612/4885CHRM5 4674/4885 |
| US-20190298841-A1 | Nucleic Acid Complexes | ZFR, SUB1, RELA | CHRM2 4885/4885CHRM4 4873/4885CHRM5 4870/4885 |
| US-20150196652-A1 | NUCLEIC ACID COMPLEXES | ZFR, SUB1, RELA | CHRM2 4885/4885CHRM4 4873/4885CHRM5 4870/4885 |
| US-20130059775-A1 | Nucleic Acid Complexes | ZFR, SUB1, RELA | CHRM2 4885/4885CHRM4 4873/4885CHRM5 4870/4885 |
“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.