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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
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 SCHEMBL29462680 | 1.00 | CA12 (0.53) | CA12CA2CA3CA4CA6 | |
| SCHEMBL6295320 | 0.96 | CA12 (0.57) | CA12CA2CA3CA4CA6 | |
| SCHEMBL2827482 | 0.87 | CA12 (0.57) | CA12CA2CA3CA4CA6 | |
| Water SCHEMBL20492244 | 0.87 | — | — | |
| SCHEMBL5055552 | 0.85 | CA12 (0.47) | CA12CA2CA3CA4CA6 | |
| SCHEMBL10425918 | 0.82 | CA12 (0.73) | CA12CA2CA3CA4CA6 | |
| SCHEMBL4658729 | 0.82 | — | — | |
| SCHEMBL15334 | 0.82 | — | — | |
| SCHEMBL17159746 | 0.78 | CA12 (0.57) | CA12CA2CA3CA4CA6 | |
| SCHEMBL28171693 | 0.78 | TDP1 (0.57) | CA12CA2CA3CA4CA6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120040315-A | Synthesis method of 2-methyl-alpha-methoxyiminophenylacetic acid methyl ester | 辽宁众辉生物科技有限公司 | 2025-05-27 | — | — | CN | claimed |
| EP-4702070-A1 | TWO-COMPONENT EPOXY SYSTEMS | Sika Technology AG (CH) | 2026-03-04 | — | — | EP | disclosed |
| CN-120040315-B | Synthesis method of 2-methyl-alpha-methoxyiminophenylacetic acid methyl ester | 辽宁众辉生物科技有限公司 | 2025-07-25 | — | — | CN | disclosed |
| WO-2025136961-A1 | CHEMICAL MATTERS FOR TARGETING HISTONE ACETYLTRANSFERASE P300 (EP300) AND CREB-BINDING PROTEIN (CBP) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2025-06-26 | — | — | WO | disclosed |
| WO-2025108411-A1 | EP300/CBP REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 北京沐华生物科技有限责任公司 | 2025-05-30 | — | — | WO | disclosed |
| CN-120040315-A | Synthesis method of 2-methyl-alpha-methoxyiminophenylacetic acid methyl ester | 辽宁众辉生物科技有限公司 | 2025-05-27 | — | — | CN | disclosed |
| CN-120040315-A | Synthesis method of 2-methyl-alpha-methoxyiminophenylacetic acid methyl ester | 辽宁众辉生物科技有限公司 | 2025-05-27 | — | — | CN | disclosed |
| CN-119954111-A | Method for continuously preparing lithium bis (fluorosulfonyl) imide | 山东凌凯药业有限公司 | 2025-05-09 | — | — | CN | disclosed |
| EP-4455181-A1 | TWO-COMPONENT EPOXY SYSTEMS | Sika Technology AG (CH) | 2024-10-30 | — | — | EP | disclosed |
| US-20240287070-A1 | FUSED HETEROCYCLIC DERIVATIVES | JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) | 2024-08-29 | — | — | US | disclosed |
| EP-4347590-A1 | FUSED HETEROCYCLIC DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2024-04-10 | — | — | EP | disclosed |
| US-20240109879-A1 | BENZIMIDAZOLE COMPOUND AND APPLICATION THEREOF | MEDSHINE DISCOVERY INC. (CN) | 2024-04-04 | — | — | US | disclosed |
| CN-117715909-A | Condensed heterocyclic derivative | 杨森科学爱尔兰无限公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2022253259-A1 | FUSED HETEROCYCLIC DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-12-08 | — | — | WO | disclosed |
| WO-2022143773-A1 | BENZIMIDAZOLE COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2022-07-07 | — | — | 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 (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-20240287070-A1 | FUSED HETEROCYCLIC DERIVATIVES | HAVCR2, HCCS, GOT2 | HTR1A 4414/4885DRD2 3665/4885HTR2A 4047/4885 |
| US-20240109879-A1 | BENZIMIDAZOLE COMPOUND AND APPLICATION THEREOF | EP300, CREBBP, BRPF3 | HTR1A 3601/4885DRD2 4357/4885HTR2A 3910/4885 |
“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.