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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL116567 | 0.96 | — | — | |
| Methane SCHEMBL6236341 | 0.92 | TSHR (0.31) | TSHR | |
| Iodide SCHEMBL1568045 | 0.92 | TSHR (0.31) | TSHR | |
| Hydrochloric Acid SCHEMBL8098574 | 0.92 | TSHR (0.31) | TSHR | |
| Hydrochloric Acid SCHEMBL6677623 | 0.92 | TSHR (0.31) | TSHR | |
| Charcoal, Activated SCHEMBL6236339 | 0.92 | TSHR (0.31) | TSHR | |
| SCHEMBL11793390 | 0.92 | — | — | |
| SCHEMBL334 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL21700 | 0.92 | TSHR (0.31) | TSHR | |
| Hydrochloric Acid SCHEMBL28809260 | 0.92 | TSHR (0.31) | TSHR |
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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1982988-B1 | METHOD OF SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B | JAPAN SCIENCE & TECH AGENCY (JP) | 2014-06-04 | — | — | EP | claimed |
| US-7939679-B2 | Method for synthesis of ciguatoxin CTX1B and compounds useful for the synthesis of ciguatoxin CTX1B | JAPAN SCIENCE & TECHNOLOGY AGENCY (JP) | 2011-05-10 | — | — | US | claimed |
| US-20100160651-A1 | METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2010-06-24 | — | — | US | claimed |
| EP-1982988-A1 | METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUND USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B | Japan Science and Technology Agency (JP) | 2008-10-22 | — | — | EP | claimed |
| US-5616671-A | SOLVENT-FREE, HEATED REACTION OF STARCH WITH IN SITU POLYMERIZED LACTONE IN MIXTURE CONTAINING ORGANOMETALLIC POLYMERIZING AGENT | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 1997-04-01 | — | — | US | claimed |
| US-5578691-A | POLYLACTONES | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 1996-11-26 | — | — | US | claimed |
| US-5374744-A | Sex pheronome of Japanese beetle, cupreous chafers; oxidation, reduction, cleavage, cyclization, alkynylation, hydrolysis | JAPAN TOBACCO INC. (JP) | 1994-12-20 | — | — | US | claimed |
| US-4736001-A | 1,4-CIS POLYBUTADIENE OR COPOLYMERS WITH RELATED DIOLEFINS | ENICHEM ELASTOMERI, S.P.A. (IT) | 1988-04-05 | — | — | US | claimed |
| US-4710553-A | NEODYMIUM AND ORGANOALUMINUM COMPOUNDS WITH HALOGEN AND HYDROXY- OR CARBOXY-CONTAINING COMPOUND, SOLVENTLESS | ENICHEM ELASTOMERI S.P.A. (IT) | 1987-12-01 | — | — | US | claimed |
| EP-0201962-A1 | Improved process for the polymerization or copolymerization of butadiene | ENICHEM ELASTOMERI S.p.A. (IT) | 1986-11-20 | — | — | EP | claimed |
| EP-0201979-A1 | Improved process for the polymerization or copolymerization of butadiene | ENICHEM ELASTOMERI S.p.A. (IT) | 1986-11-20 | — | — | EP | claimed |
| CN-113072551-B | Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-114763357-B | Indolopyrimidine tricyclic compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2024-06-18 | — | — | CN | disclosed |
| US-20230399285-A1 | ILLUDIN ANALOGS, USES THEREOF, AND METHODS FOR SYNTHESIZING THE SAME | LANTERN PHARMA INC. (US) | 2023-12-14 | — | — | US | disclosed |
| CN-116836316-A | Method for preparing syndiotactic 1, 2-polybutadiene and regulating molecular weight by Fe-based catalyst | 青岛科技大学 | 2023-10-03 | — | — | CN | disclosed |
| US-4939248-A | Optically active azetidinones | SANRAKU INCORPORATED (JP) | 1990-07-03 | — | — | US | disclosed |
| EP-0295308-A1 | OPTICALLY ACTIVE AZETIDINONES AND PROCESS FOR PRODUCTION THEREOF. | SANRAKU INC (JP) | 1988-12-21 | — | — | EP | disclosed |
| WO-1988004656-A1 | OPTICALLY ACTIVE AZETIDINONES AND PROCESS FOR PRODUCTION THEREOF | SANRAKU INCORPORATED (JP) | 1988-06-30 | — | — | WO | disclosed |
| EP-0104880-A2 | Attractant termiticidal compounds, compositions and methods of use therefor | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1984-04-04 | — | — | EP | disclosed |
| US-4304907-A | Bicyclo lactone intermediates for prostaglandin analogs | THE UPJOHN COMPANY (US) | 1981-12-08 | — | — | 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 (2 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-20230399285-A1 | ILLUDIN ANALOGS, USES THEREOF, AND METHODS FOR SYNTHESIZING THE SAME | SERPINC1, NUDT21, HABP2 | TSHR 1737/4885CYP1A2 3518/4885MAPK1 4066/4885 |
| US-20100160651-A1 | METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B | CBR3, ADCY6, ADCY3 | TSHR 2460/4885CYP1A2 947/4885MAPK1 3514/4885 |
“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.