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 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | IDE | P14735 | 1/20 | 0.45 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATIC | P31939 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
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 SCHEMBL29809771 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL29893556 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL11473359 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL26654237 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL31290656 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL756994 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL11360879 | 1.00 | TTR (0.72) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL26654218 | 0.97 | TTR (0.69) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL3919443 | 0.97 | TTR (0.69) | TTRCYP1A2AURKAAURKBCDK2 | |
| Water SCHEMBL31235665 | 0.97 | TTR (0.69) | TTRCYP1A2AURKAAURKBCDK2 |
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 381 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250115565-A1 | SOLID CRYSTALLINE FORMS OF HELICASE-PRIMASE INHIBITORS AND PROCESS OF PREPARATION THEREOF | INNOVATIVE MOLECULES GMBH (DE) | 2025-04-10 | — | — | US | claimed |
| WO-2023135303-A1 | SOLID CRYSTALLINE FORMS OF HELICASE-PRIMASE INHIBITORS AND PROCESS OF PREPARATION THEREOF | INNOVATIVE MOLECULES GMBH (DE) | 2023-07-20 | — | — | WO | claimed |
| US-20230151031-A1 | METHOD FOR POST-SYNTHETIC MODIFICATION OF METAL-ORGANIC FRAMEWORKS FOR ENHANCING HYDROPHILICITY AND WATER STABILITY OF METAL-ORGANIC FRAMEWORKS IN WATER SORPTION | THE JOHNS HOPKINS UNIVERSTY | 2023-05-18 | — | — | US | claimed |
| US-20200326280-A1 | QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR | TARKETT USA INC. (US) | 2020-10-15 | — | — | US | claimed |
| EP-2828242-B1 | NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. | ALMIRALL SA (ES) | 2017-10-04 | — | — | EP | claimed |
| CN-104203918-B | Novel polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(r)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the beta2 adrenergic receptor. | 阿尔米雷尔有限公司 | 2017-01-18 | — | — | CN | claimed |
| CN-104024852-B | Oxygen radical detection method in human body | DFI株式会社 | 2016-09-07 | — | — | CN | claimed |
| US-9346759-B2 | Polymorphic crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one, heminapadisytlate as agonist of the β2 adrenergic receptor | ALMIRALL, S.A. (ES) | 2016-05-24 | — | — | US | claimed |
| US-9194806-B2 | Means for detecting oxygen free radicals in human body | DFI CO., LTD. (KR) | 2015-11-24 | — | — | US | claimed |
| CN-105073740-A | Salt and crystal form or amorphous substance of compound, preparation method thereof, pharmaceutical composition containing salt and crystal form or amorphous substance and application of pharmaceutical composition | HANGZHOU PUSHAI PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-11-18 | — | — | CN | claimed |
| US-20150057256-A1 | NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR | ALMIRALL S.A. (ES) | 2015-02-26 | — | — | US | claimed |
| EP-2828242-A1 | NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE ß2 ADRENERGIC RECEPTOR. | Almirall S.A. (ES) | 2015-01-28 | — | — | EP | claimed |
| WO-2013139712-A1 | NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL]AMINO}-1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYLATE AS AGONIST OF THE β2 ADRENERGIC RECEPTOR. | ALMIRALL, S.A. (ES) | 2013-09-26 | — | — | WO | claimed |
| EP-2641900-A1 | Novel polymorphic Crystal forms of 5-(2-{[6-(2,2-difluoro-2-phenylethoxy) hexyl]amino}-1-(R)-hydroxyethyl)-8-hydroxyquinolin-2(1h)-one, heminapadisylate as agonist of the ß2 adrenergic receptor. | Almirall, S.A. (ES) | 2013-09-25 | — | — | EP | claimed |
| US-8524908-B2 | Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one | ALMIRALL, S.A. (ES) | 2013-09-03 | — | — | US | claimed |
| EP-2406227-A1 | PROCESS FOR MANUFACTURING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYLETHOXY) HEXYL]AMINO}-1- HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE. | Almirall S.A. (ES) | 2012-01-18 | — | — | EP | claimed |
| US-20120004414-A1 | PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE | ALMIRALL, S.A. (ES) | 2012-01-05 | — | — | US | claimed |
| WO-2010102831-A1 | PROCESS FOR MANUFACTURING 5-(2-{[6-(2,2-DIFLUORO-2-PHENYIETHOXY) HEXYL]AMINO}-L- HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE. | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | WO | claimed |
| EP-2228368-A1 | Process for manufacturing 5-(2-{[6-(2,2-difluoro-2-phenylethoxy) hexyl]amino}-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one | Almirall, S.A. (ES) | 2010-09-15 | — | — | EP | claimed |
| US-20070213257-A1 | COMPOSITIONS AND METHODS FOR COMPLEXES OF NUCLEIC ACIDS AND PEPTIDES | NASTECH PHARMACEUTICAL COMPANY INC. | 2007-09-13 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 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-20230151031-A1 | METHOD FOR POST-SYNTHETIC MODIFICATION OF METAL-ORGANIC FRAMEWORKS FOR ENHANCING HYDROPHILICITY AND WATER STABILITY OF METAL-ORGANIC FRAMEWORKS IN WATER SORPTION | POF1B, AQP1, AQP4 | MEN1 2743/4885TTR 2529/4885CYP1A2 3522/4885 |
| US-20120004414-A1 | PROCESS FOR MANUFACTURING 5-(2--1-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE | HAX1, CYP4B1, CYP4X1 | MEN1 566/4885TTR 1994/4885CYP1A2 31/4885 |
| US-20070213257-A1 | COMPOSITIONS AND METHODS FOR COMPLEXES OF NUCLEIC ACIDS AND PEPTIDES | NSUN2, NOP2, POLRMT | MEN1 1934/4885TTR 186/4885CYP1A2 4884/4885 |
| US-20250115565-A1 | SOLID CRYSTALLINE FORMS OF HELICASE-PRIMASE INHIBITORS AND PROCESS OF PREPARATION THEREOF | DNA2, RECQL, BLM | MEN1 2516/4885TTR 3461/4885CYP1A2 3565/4885 |
| US-20150057256-A1 | NOVEL POLYMORPHIC CRYSTAL FORMS OF 5-(2--1-(R)-HYDROXYETHYL)-8-HYDROXYQUINOLIN-2(1H)-ONE, HEMINAPADISYTLATE AS AGONIST OF THE BETA2 ADRENERGIC RECEPTOR | ADRA2C, ADRB2, ADRA2A | MEN1 4431/4885TTR 955/4885CYP1A2 110/4885 |
| US-20200326280-A1 | QUANTITATIVE DETECTION OF NON-FLUORINE ANTI-SOIL USING A FLUORESCENT TRACE INDICATOR | AFF2, AFF1, AFF4 | MEN1 4586/4885TTR 596/4885CYP1A2 521/4885 |
“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.