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 SCHEMBL28478211 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL708610 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL10896609 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL2590832 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL10566608 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL28398822 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL27601262 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL708617 | 0.94 | MEN1 (0.75) | — | |
| Water SCHEMBL23234052 | 0.88 | MEN1 (0.67) | — | |
| Water SCHEMBL23854749 | 0.88 | MEN1 (0.67) | — |
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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892796-B1 | ISATIN DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS AND ANALGESICS | AVENTIS PHARMA INC (US) | 2001-10-24 | — | — | EP | claimed |
| US-20240018133-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | ABBVIE INC. | 2024-01-18 | — | — | US | disclosed |
| CN-114401952-A | Substituted cycloalkyl compounds as modulators of integrated stress pathways | 卡里科生命科学有限责任公司 | 2022-04-26 | — | — | CN | disclosed |
| EP-3962899-A1 | SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY | Calico Life Sciences LLC (US) | 2022-03-09 | — | — | EP | disclosed |
| US-11186564-B2 | Dual NAV1.2/5HT2a inhibitors for treating CNS disorders | SUNOVION PHARMACEUTICALS INC. (US) | 2021-11-30 | — | — | US | disclosed |
| US-20210363136-A1 | MODULATORS OF THE INTEGRATED STRESS PATHWAY | ABBVIE INC. | 2021-11-25 | — | — | US | disclosed |
| WO-2020223536-A1 | SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY | CALICO LIFE SCIENCES LLC (US) | 2020-11-05 | — | — | WO | disclosed |
| US-20190194163-A1 | DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2019-06-27 | — | — | US | disclosed |
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |
| EP-1577288-B1 | Selective estrogen receptor modulators | EISAI R&D MAN CO LTD (JP) | 2014-07-23 | — | — | EP | disclosed |
| EP-0099172-A1 | 6,7-Dihydro-7,7-disubstituted-khellins | THE UPJOHN COMPANY (US) | 1984-01-25 | — | — | EP | disclosed |
| EP-0094769-A1 | Preparing 7-alkoxybenzofurans and intermediates used therein | THE UPJOHN COMPANY (US) | 1983-11-23 | — | — | EP | disclosed |
| US-4382094-A | ANTIINFLAMMATORY AGENTS | BEECHAM GROUP LIMITED (GB) | 1983-05-03 | — | — | US | disclosed |
| EP-0045219-B1 | REDUCED NAPHTHALENES, THEIR PREPARATION AND USE | BEECHAM GROUP PLC (GB) | 1983-04-13 | — | — | EP | disclosed |
| EP-0045219-A1 | Reduced naphthalenes, their preparation and use | BEECHAM GROUP PLC (GB) | 1982-02-03 | — | — | EP | disclosed |
| US-4258040-A | Cephalosporin compounds | MERCK & CO., INC. (US) | 1981-03-24 | — | — | US | disclosed |
| US-4162364-A | ANTIINFLAMMATORY AGENT | LEK TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) | 1979-07-24 | — | — | US | disclosed |
| US-4110342-A | PENICILLIN AND CEPHALOSPORIN INTERMEDIATES | PFIZER INC. (US) | 1978-08-29 | — | — | US | disclosed |
| US-4060687-A | Cephalosporins having a 3-α substituted alkyl grouping | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-3947413-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1976-03-30 | — | — | US | disclosed |