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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.41 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8580807 | 0.98 | TAAR1 (0.56) | TAAR1CA12CA1CA2CA7 | |
| SCHEMBL42669 | 0.98 | TAAR1 (0.60) | TAAR1CA12CA1CA2CA7 | |
| SCHEMBL29369717 | 0.98 | TAAR1 (0.60) | TAAR1CA12CA1CA2CA7 | |
| Ammonia Solution, Strong SCHEMBL10771442 | 0.95 | TAAR1 (0.58) | TAAR1CA12CA1CA2CA7 | |
| Alcohol SCHEMBL5330824 | 0.93 | TAAR1 (0.56) | TAAR1CA12CA1CA2CA7 | |
| Methylene Chloride SCHEMBL28920603 | 0.91 | TAAR1 (0.54) | TAAR1CA12CA1CA2CA7 | |
| Cyclohexane SCHEMBL11143365 | 0.91 | TAAR1 (0.54) | TAAR1CA12CA1CA2CA7 | |
| Chloroform SCHEMBL4135647 | 0.89 | TAAR1 (0.52) | TAAR1CA12CA1CA2CA7 | |
| Acetic Acid SCHEMBL8336157 | 0.87 | TAAR1 (0.50) | TAAR1CA12CA1CA2CA7 | |
| Hexane SCHEMBL10771489 | 0.87 | TAAR1 (0.50) | TAAR1CA12CA1CA2CA7 |
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 223 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087358-B | Preparation method of Prisamod | 中国医学科学院药物研究所 | 2022-06-21 | — | — | CN | claimed |
| CN-111087359-B | Preparation method of Iguratimod | 中国医学科学院药物研究所 | 2022-06-21 | — | — | CN | claimed |
| CN-111087359-A | Preparation method of Iguratimod | 中国医学科学院药物研究所 | 2020-05-01 | — | — | CN | claimed |
| CN-111087358-A | Preparation method of Prisamod | 中国医学科学院药物研究所 | 2020-05-01 | — | — | CN | claimed |
| US-10308749-B2 | Process for producing modified thermosetting polyphenylene ether resin | NAN YA PLASTICS CORPORATION (TW) | 2019-06-04 | — | — | US | claimed |
| US-20180051116-A1 | PROCESS FOR PRODUCING MODIFIED THERMOSETTING POLYPHENYLENE ETHER RESIN | NAN YA PLASTICS CORPORATION (TW) | 2018-02-22 | — | — | US | claimed |
| US-20260034123-A1 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS INC (US) | 2026-02-05 | — | — | US | disclosed |
| CN-120789698-A | Separation method of toluene-ethanol-water three-phase azeotrope | 江苏久膜高科技股份有限公司 | 2025-10-17 | — | — | CN | disclosed |
| CN-120789698-A | Separation method of toluene-ethanol-water three-phase azeotrope | 江苏久膜高科技股份有限公司 | 2025-10-17 | — | — | CN | disclosed |
| EP-4562016-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | Cedilla Therapeutics, Inc. (US) | 2025-06-04 | — | — | EP | disclosed |
| CN-116375659-B | Organic compound, and electronic component and electronic device including the same | 陕西莱特光电材料股份有限公司 | 2025-05-06 | — | — | CN | disclosed |
| CN-119797574-A | Heat conduction enhanced in-situ aeration system for treating groundwater pollution and application method thereof | 常州大学 | 2025-04-11 | — | — | CN | disclosed |
| CN-114317542-B | Screening probe for inducing tumor cell epithelial-mesenchymal transition drug, and preparation method and application thereof | 中国药科大学 | 2024-08-23 | — | — | CN | disclosed |
| EP-0979228-A4 | NOVEL CANNABINOID RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2000-05-03 | — | — | EP | disclosed |
| EP-0982387-A1 | Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition | Chisso Corporation (JP) | 2000-03-01 | — | — | EP | disclosed |
| EP-0979228-A1 | NOVEL CANNABINOID RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-16 | — | — | EP | disclosed |
| US-5948777-A | ANTIINFLAMMATORY AGENT | SMITHKLINE BEECHAM CORPORATION (US) | 1999-09-07 | — | — | US | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998041519-A1 | NOVEL CANNABINOID RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-09-24 | — | — | 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 (1 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-20260034123-A1 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CDK2, CDK1, CDK20 | ACHE 4649/4885CHRM2 3159/4885PTGS1 1846/4885 |
“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.