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.
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 SCHEMBL8587303 | 1.00 | ALDH1A1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL7855880 | 0.95 | — | — | |
| SCHEMBL285 | 0.94 | — | — | |
| Fluoride SCHEMBL9698194 | 0.94 | — | — | |
| SCHEMBL18185998 | 0.94 | ALDH1A1 (0.46) | — | |
| SCHEMBL5084531 | 0.94 | — | — | |
| SCHEMBL145743 | 0.94 | — | — | |
| Hydrazine SCHEMBL20766052 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL23466884 | 0.89 | ALDH1A1 (0.42) | — | |
| SCHEMBL11125555 | 0.89 | ALDH1A1 (0.42) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105111228-A | Chiral phosphoric acid with 5,5'-bitetralone skeleton and preparation method thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2015-12-02 | — | — | CN | claimed |
| WO-2024029583-A1 | NOVEL PYRAZOLE DERIVATIVE AND USE OF SAME | 国立研究開発法人理化学研究所 | 2024-02-08 | — | — | WO | disclosed |
| CN-111892579-B | Kinase inhibitors | 上海艾力斯医药科技股份有限公司 | 2023-07-25 | — | — | CN | disclosed |
| US-20230212144-A1 | 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT | TRINEURO (KR) | 2023-07-06 | — | — | US | disclosed |
| CN-111875585-B | Kinase inhibitors | 上海艾力斯医药科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| EP-4159726-A1 | 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT | Daegu-Gyeongbuk Medical Innovation Foundation (KR) | 2023-04-05 | — | — | EP | disclosed |
| WO-2021241982-A1 | 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT | 재단법인 대구경북첨단의료산업진흥재단 | 2021-12-02 | — | — | WO | disclosed |
| WO-2021213476-A1 | PYRAZOLO[1,5-A]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND USE THEREOF | 深圳晶泰科技有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |
| EP-3762380-A1 | PHENYLPYRROLIDINONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2021-01-13 | — | — | EP | disclosed |
| WO-2019173182-A1 | PHENYLPYRROLIDINONE FORMYL PEPTIDE 2 RECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-09-12 | — | — | WO | disclosed |
| CN-1705688-A | Multi-catalyst system for olefin polymerization and polymers produced therefrom | EXXONMOBIL CHEM PATENTS INC (US) | 2005-12-07 | — | — | CN | disclosed |
| EP-0990653-B1 | 2-OXOIMIDAZOLE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-20040157818-A1 | Cxcr4-antagonistic drugs composed of nitrogen-containing compound | KUREHA CORPORATION (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |
| CN-1095497-C | Method for preparation of repairing porous frame usedd for tissue and organ by a phase separation filter method | UNIV TSINGHUA (CN) | 2002-12-04 | — | — | CN | disclosed |
| US-6258825-B1 | ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2001-07-10 | — | — | US | disclosed |
| CN-1275617-A | Method for preparation of repairing porous frame usedd for tissue and organ by a phase separation filter method | UNIV QINGHUA (CN) | 2000-12-06 | — | — | CN | disclosed |
| EP-0990653-A1 | 2-OXOIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-04-05 | — | — | EP | disclosed |
| CN-1195348-A | New oxazolidinone derivatives, process for preparing same and medicaments contain these compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1998-10-07 | — | — | CN | disclosed |
| US-4755606-A | Imidazolyl-3,5-di-(diphenyl-butylsilyloxy) carboxylic acid ester intermediates | SANDOZ PHARM. CORP. (US) | 1988-07-05 | — | — | US | disclosed |