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 | |
|---|---|---|---|---|
| SCHEMBL18541742 | 1.00 | — | — | |
| SCHEMBL2152919 | 1.00 | — | — | |
| SCHEMBL18541673 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8364189 | 0.98 | ALDH1A1 (0.35) | — | |
| Methyl Alcohol SCHEMBL10375125 | 0.94 | KMT2A (0.38) | — | |
| SCHEMBL22747454 | 0.93 | — | — | |
| SCHEMBL4442007 | 0.93 | — | — | |
| Alcohol SCHEMBL29244245 | 0.90 | MAPT (0.36) | — | |
| Phosphoric Acid SCHEMBL29004164 | 0.88 | ANPEP (0.43) | — | |
| Dimethyl Sulfoxide SCHEMBL9126815 | 0.88 | PDE4A (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397413-B | 5-hydroxytryptamine receptor agonist and preparation method and application thereof | 四川科瑞德制药股份有限公司 | 2021-03-26 | — | — | CN | claimed |
| CN-106397413-A | A 5-hydroxytryptamine receptor agonist, a preparing method thereof and uses of the receptor agonist | 四川科瑞德制药股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| EP-2116524-A1 | Method for the synthesis of the sodium salt of retinoyl-cysteic acid and retinoyl-cysteine sulfinic acid | Ardenia Investments Ltd. (GB) | 2009-11-11 | — | — | EP | claimed |
| EP-1826198-B1 | Method for the synthesis of the sodium salts of retinoyl derivatives | ARDENIA INVESTMENTS LTD (GB) | 2009-08-05 | — | — | EP | claimed |
| EP-1826198-A1 | Method for the synthesis of the sodium salt of retinoyl-cysteic acid and retinoyl-cysteine sulfinic acid | Ardenia Investments Ltd. (GB) | 2007-08-29 | — | — | EP | claimed |
| EP-1387844-A1 | RETINOL DERIVATIVES POTENTIATION OF ACTIVE SUBSTANCES BY MICELLAR PREPARATION | Ardenia Investments Ltd. (GB) | 2004-02-11 | — | — | EP | claimed |
| US-6642271-B2 | Capable of potentiating the efficacy of therapeutically active compounds, for example cytotoxic compounds used in the treatment of cancer | ARDENIA INVESTMENTS, LTD. (GB) | 2003-11-04 | — | — | US | claimed |
| US-20030050343-A1 | Novel potentiating compounds | OASMIA PHARMACEUTICAL AB (SE) | 2003-03-13 | — | — | US | claimed |
| WO-2002092600-A1 | RETINOL DERIVATIVES POTENTIATION OF ACTIVE SUBSTANCES BY MICELLAR PREPARATION | ARDENIA INVESTMENTS LTD. (GB) | 2002-11-21 | — | — | WO | claimed |
| CN-106397413-B | 5-hydroxytryptamine receptor agonist and preparation method and application thereof | 四川科瑞德制药股份有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-111410675-A | Preparation method of 3, 7-diketocholanic acid with low cost and high yield | 上海慈瑞医药科技股份有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-104257665-A | Oral solid preparation of dutasteride and preparation method thereof | NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD | 2015-01-07 | — | — | CN | disclosed |
| CN-103728381-A | Liquid chromatographic analysis method of aldehyde ketone compounds | SHENZHEN ENTRY EXIT INSPECTION AND QUARANTINE BUREAU IND PRODUCT INSPECTION TECHNOLOGY CT | 2014-04-16 | — | — | CN | disclosed |
| US-5736510-A | Antibiotics 10381v, w, x,y, z1, z2, pre-b and t | PHARMACIA & UPJOHN COMPANY (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0717751-B1 | ANTIBIOTICS 10381V, W, X, Y, Z1, Z2, PRE-B AND T | UPJOHN CO (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0717751-A1 | ANTIBIOTICS 10381V, W, X, Y, Z1, Z2, PRE-B AND T | UPJOHN CO (US) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007292-A1 | ANTIBIOTICS 10381V, W, X, Y, Z1, Z2, PRE-B AND T | THE UPJOHN COMPANY (US) | 1995-03-16 | — | — | WO | disclosed |