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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | SUMO2 | P61956 | 2/20 | 0.37 |
| ▸ | SUMO1 | P63165 | 2/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.37 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.37 |
| ▸ | SENP3 | Q9H4L4 | 1/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
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 SCHEMBL27757246 | 1.00 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| Water SCHEMBL9772765 | 1.00 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL3780 | 0.98 | MYC (0.46) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL4400073 | 0.98 | MYC (0.46) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL31506947 | 0.98 | MYC (0.46) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL358507 | 0.96 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL360362 | 0.96 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| Hydrochloric Acid SCHEMBL3138998 | 0.96 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| Ammonia Solution, Strong SCHEMBL59677 | 0.96 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR | |
| SCHEMBL2815041 | 0.96 | MYC (0.44) | MYCKMT2ATRPA1ATMTTR |
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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106389435-A | Pharmaceutical composition containing naprotinib or salt thereof and impurity control method of pharmaceutical composition | 深圳海王医药科技研究院有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-103923070-A | Efficient Process For The Preparation Of Lapatinib And Salts Thereof By Means Of New Intermediates | ITALIANA SINT SPA | 2014-07-16 | — | — | CN | claimed |
| CN-102083824-A | Method of treating cancer using a cMET and AXL inhibitor and an ErbB inhibitor | SMITHKLINE BEECHAM CORP | 2011-06-01 | — | — | CN | claimed |
| WO-2025110230-A1 | METHOD FOR PRODUCING ACRYLIC ACID | 株式会社日本触媒 | 2025-05-30 | — | — | WO | disclosed |
| CN-111849300-A | Special fireproof water-based woodware clear finish | 广东马途宝新材料科技有限公司 | 2020-10-30 | — | — | CN | disclosed |
| CN-102770140-B | The method for the treatment of cancer | 诺瓦蒂斯公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-106103429-A | The eutectic of Lapatinib unitary hydrochlorate | 意大利合成制造有限公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-102711472-B | Phosphorous quinazoline compound and using method thereof | JIANGSU KANION PHARMACEUTICAL Co.,Ltd. (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-104204226-A | Methods of treating cancer | SMITHKLINE BEECHAM CORK LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-103923070-A | Efficient Process For The Preparation Of Lapatinib And Salts Thereof By Means Of New Intermediates | ITALIANA SINT SPA | 2014-07-16 | — | — | CN | disclosed |
| CN-103561734-A | Synergistic pharmaceutical combination for the treatment of squamous cell carcinoma of head and neck | PIRAMAL ENTPR LTD | 2014-02-05 | — | — | CN | disclosed |
| US-20020087028-A1 | Method for production of esterified product and apparatus therefor | HIRATA TSUYOSHI (JP) | 2002-07-04 | — | — | US | disclosed |
| EP-1213315-A1 | Storage and/or transportation method of polyalkylene glycol monomers | Nippon Shokubai Co., Ltd. (JP) | 2002-06-12 | — | — | EP | disclosed |
| EP-1208910-A2 | Process and apparatus for producing a dehydration reaction product | Nippon Shokubai Co., Ltd. (JP) | 2002-05-29 | — | — | EP | disclosed |
| US-6362364-B1 | REACTING ALKOXY POLYOXYALKYLENE GLYCOL WITH (METH)ACRYLIC ACID; REMOVING THE WATER OF REACTION; DISTILLATION; ANTIGELLING AGENT | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-03-26 | — | — | US | disclosed |
| US-6265495-B1 | CEMENT DISPERSANT BLEND | NIPPON SHOKUBAI CO., LTD. (JP) | 2001-07-24 | — | — | US | disclosed |
| CN-1256265-A | Process for production of esterification products | NIPPON CATALYTIC CHEM IND (JP) | 2000-06-14 | — | — | CN | disclosed |
| CN-1255487-A | Method and appts. for preparing esterification products | NIPPON CATALYTIC CHEM IND (JP) | 2000-06-07 | — | — | CN | disclosed |
| EP-0989109-A1 | Method for production of esterified product and apparatus therefor | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-03-29 | — | — | EP | disclosed |
| EP-0989108-A2 | Method for production of esterified product | Nippon Shokubai Co., Ltd. (JP) | 2000-03-29 | — | — | EP | 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-20020087028-A1 | Method for production of esterified product and apparatus therefor | FAR1, NOTUM, ADH1A | MEN1 1683/4885ESR1 4013/4885ESR2 3108/4885 |
“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.