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 SCHEMBL664367 | 1.00 | — | — | |
| Bromide SCHEMBL29180858 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28213264 | 0.86 | — | — | |
| Ethyne SCHEMBL4188550 | 0.80 | — | — | |
| SCHEMBL1960917 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL30532237 | 0.72 | — | — | |
| Water SCHEMBL27963348 | 0.68 | — | — | |
| Water SCHEMBL27742200 | 0.68 | — | — | |
| Ethane SCHEMBL27827449 | 0.62 | — | — | |
| Methyl Alcohol SCHEMBL26905944 | 0.57 | — | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478211-A | Preparation method of eptazocine intermediate | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-114478213-A | Method for preparing eptazocine intermediate by using microchannel device | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | claimed |
| US-20230210833-A1 | USE OF IRAK4 INHIBITOR IN TREATMENT OF ACUTE LUNG INJURY ALI/ARDS | LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| US-20230100158-A1 | FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY | PURDUE RESEARCH FOUNDATION | 2023-03-30 | — | — | US | disclosed |
| EP-4096676-A1 | FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY | Purdue Research Foundation (US) | 2022-12-07 | — | — | EP | disclosed |
| CN-114989226-B | Preparation method and application of platinum precursor and trimethylcyclopentadienyl platinum | 苏州欣诺科生物科技有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115260343-A | Single metallocene catalyst containing salicylaldimine ligand and preparation method and application thereof | 中国科学技术大学 | 2022-11-01 | — | — | CN | disclosed |
| CN-114746431-A | Crystal form of LRRK2 inhibitor and preparation method thereof | 贵州伊诺其尼科技有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-114478211-A | Preparation method of eptazocine intermediate | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114478213-A | Method for preparing eptazocine intermediate by using microchannel device | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-109311825-B | 2,4, 6-trisubstituted s-triazine compound and preparation method and application thereof | 南京世其医药科技有限公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-2975069-A1 | METHOD FOR PRODUCING OLEFIN POLYMER AND CATALYST FOR OLEFIN POLYMERIZATION | Mitsui Chemicals, Inc. (JP) | 2016-01-20 | — | — | EP | disclosed |
| US-20150038483-A1 | AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2015-02-05 | — | — | US | disclosed |
| EP-2832731-A1 | AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY | Shionogi & Co., Ltd. (JP) | 2015-02-04 | — | — | EP | disclosed |
| US-7164024-B2 | Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-01-16 | — | — | US | disclosed |
| US-20040147506-A1 | Benzimidazolone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-07-29 | — | — | US | disclosed |
| US-4065494-A | BRONCHODILATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-12-27 | — | — | US | disclosed |
| US-4059701-A | 15-Substituted prostanoic acids for treating bronchial spasm | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |
| US-4033985-A | BRONCHODILATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-07-05 | — | — | US | disclosed |
| US-4022821-A | BRONCHODILATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-05-10 | — | — | US | disclosed |