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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL70721 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5544397 | 0.97 | TRIM24 (0.39) | — | |
| Bromide SCHEMBL22283857 | 0.97 | — | — | |
| Bromide SCHEMBL30521957 | 0.97 | TRIM24 (0.39) | — | |
| SCHEMBL83334 | 0.96 | — | — | |
| SCHEMBL6529739 | 0.96 | TRIM24 (0.44) | — | |
| Hydrochloric Acid SCHEMBL8498788 | 0.94 | TRIM24 (0.37) | — | |
| Water SCHEMBL1845123 | 0.94 | — | — | |
| SCHEMBL25405068 | 0.93 | HIF1A (0.43) | — | |
| Fluoride SCHEMBL22283826 | 0.93 | — | — |
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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206501-A | Preparation method of rumorph | 西安远大科创医药科技有限公司 | 2024-06-18 | — | — | CN | claimed |
| EP-1260511-B1 | Process for the preparation of 5-chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole and method of manufacturing sertindole | LUNDBECK & CO AS H (DK) | 2004-12-29 | — | — | EP | claimed |
| CN-118206501-A | Preparation method of rumorph | 西安远大科创医药科技有限公司 | 2024-06-18 | — | — | CN | disclosed |
| WO-2023101326-A1 | NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF | 주식회사 넥스트젠바이오사이언스 | 2023-06-08 | — | — | WO | disclosed |
| EP-3890715-A1 | THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER | The Board Of Regents Of The University Of Texas System (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2020117972-A1 | THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2020-06-11 | — | — | WO | disclosed |
| CN-103958468-B | Piperidinylnaphthylacetic acids | 弗·哈夫曼-拉罗切有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-103958468-A | Piperidinylnaphthylacetic acids | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| US-8586748-B2 | 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-11-19 | — | — | US | disclosed |
| CN-101646656-B | Pyrimidine hydrazide compounds as PGDS inhibitors | SANOFI AVENTIS SPA | 2013-08-14 | — | — | CN | disclosed |
| US-8399473-B2 | Macrocyclic spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Corp. (US) | 2013-03-19 | — | — | US | disclosed |
| CN-1092071-A | Promote spiro piperidines and homologue that tethelin discharges | MERCK & CO INC (US) | 1994-09-14 | — | — | CN | disclosed |
| CN-1023320-C | Process for preparing a benzoxazinnorifamycim derivative | KANEGAFUCHI CHEMICAL IND (JP) | 1993-12-29 | — | — | CN | disclosed |
| US-5114949-A | Treating disorders associated with 5HT uptake | RHONE-POULENC SANTE (FR) | 1992-05-19 | — | — | US | disclosed |
| CN-1054071-A | Oral active renin inhibitors | PFIZER (US) | 1991-08-28 | — | — | CN | disclosed |
| EP-0438233-A2 | Orally active renin inhibitors | PFIZER INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| EP-0022705-B1 | DERIVATIVES OF TETRAHYDROPYRIDINYL-INDOL AND THEIR SALTS, THEIR PREPARATION, THEIR APPLICATION AS MEDICINES, AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1983-04-06 | — | — | EP | disclosed |
| US-4278677-A | Tetrahydropyridinyl indoles | ROUSSEL UCLAF (FR) | 1981-07-14 | — | — | US | disclosed |
| EP-0022705-A1 | Derivatives of tetrahydropyridinyl-indol and their salts, their preparation, their application as medicines, and compositions containing them | ROUSSEL-UCLAF (FR) | 1981-01-21 | — | — | EP | disclosed |
| US-4196209-A | Treating psychic disorders with piperidyl-indoles | ROUSSEL UCLAF (FR) | 1980-04-01 | — | — | US | disclosed |