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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 SCHEMBL15952817 | 1.00 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL503712 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28630079 | 0.95 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4100152 | 0.83 | ESR2 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18154523 | 0.78 | APP (0.61) | KMT2AALDH1A1NPC1MAPTRAB9A | |
| 1,4-Dimethoxybenzene SCHEMBL30704776 | 0.73 | CA1 (0.92) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10256951 | 0.72 | — | — | |
| SCHEMBL2328649 | 0.70 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL18517016 | 0.70 | — | — | |
| SCHEMBL7950793 | 0.70 | — | — |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110713868-A | Post etch residue cleaning solution capable of removing titanium nitride | 巴斯夫欧洲公司 | 2020-01-21 | — | — | CN | claimed |
| US-8916429-B2 | Aqueous cleaning techniques and compositions for use in semiconductor device manufacturing | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2014-12-23 | — | — | US | claimed |
| US-20130288436-A1 | Aqueous Cleaning Techniques and Compositions for use in Semiconductor Device Manufacturing | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2013-10-31 | — | — | US | claimed |
| US-7968506-B2 | Wet cleaning stripping of etch residue after trench and via opening formation in dual damascene process | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2011-06-28 | — | — | US | claimed |
| US-20100055897-A1 | WET CLEANING STRIPPING OF ETCH RESIDUE AFTER TRENCH AND VIA OPENING FORMATION IN DUAL DAMASCENE PROCESS | TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) | 2010-03-04 | — | — | US | claimed |
| CN-119678921-A | Cyclohexene derivative with attraction effect on carpiotosia borer as well as preparation method and application thereof | 华东理工大学 | 2025-03-25 | — | — | CN | disclosed |
| US-20230303613-A1 | 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) | 2023-09-28 | — | — | US | disclosed |
| EP-3936514-B1 | 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE | INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) | 2023-05-24 | — | — | EP | disclosed |
| CN-108122830-B | Method for forming semiconductor device | 台湾积体电路制造股份有限公司 | 2022-12-02 | — | — | CN | disclosed |
| US-20220277989-A1 | Semiconductor Device and Method of Manufacture | TAIWAN SEMICONDUCTOR MFG CO LTD (TW) | 2022-09-01 | — | — | US | disclosed |
| US-11335589-B2 | Semiconductor device and method of manufacture | TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) | 2022-05-17 | — | — | US | disclosed |
| WO-2022007986-A1 | 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V. V. I. (CZ) | 2022-01-13 | — | — | WO | disclosed |
| US-20040176405-A1 | Methods and compounds for inhibitting MRP1 | KROIN JULIAN (US) | 2004-09-09 | — | — | US | disclosed |
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |
| EP-1389463-A1 | MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-02-18 | — | — | EP | disclosed |
| US-20030100576-A1 | Methods and compounds for inhibiting mrp1 | ELI LILLY AND COMPANY | 2003-05-29 | — | — | US | disclosed |
| US-20030092720-A1 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD (JP) | 2003-05-15 | — | — | US | disclosed |
| EP-1250340-A1 | METHODS AND COMPOUNDS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001046199-A1 | METHODS AND COMPOUNDS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-06-28 | — | — | WO | disclosed |
| US-5622137-A | FOR USE IN TESTING COOKED FOODS | TRANS WORLD SERVICES (US) | 1997-04-22 | — | — | 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 (4 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-20040176405-A1 | Methods and compounds for inhibitting MRP1 | ABCC1, ABCB11, ABCB1 | ACHE 2103/4885THRB 3709/4885MEN1 2632/4885 |
| US-20030092720-A1 | Drug efflux pump inhibitor | ABCB11, ABCB1, ABCC1 | ACHE 4421/4885THRB 2592/4885MEN1 4800/4885 |
| US-20030100576-A1 | Methods and compounds for inhibiting mrp1 | ABCC1, ABCB11, ABCB1 | ACHE 2353/4885THRB 3318/4885MEN1 3042/4885 |
| US-20230303613-A1 | 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE | STING1, CGAS, IRF3 | ACHE 2100/4885THRB 3986/4885MEN1 3469/4885 |
“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.