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 | |
|---|---|---|---|---|
| SCHEMBL590442 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27563355 | 0.91 | — | — | |
| SCHEMBL2528325 | 0.91 | — | — | |
| Water SCHEMBL5555452 | 0.73 | — | — | |
| Isopropylhydroxylamine SCHEMBL64261 | 0.70 | — | — | |
| Water SCHEMBL3359825 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL9317726 | 0.68 | — | — | |
| Water SCHEMBL28161990 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL27448530 | 0.68 | — | — | |
| Isopropyl Alcohol SCHEMBL1236799 | 0.68 | ALDH1A1 (0.86) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11339295-B2 | Oxidative dye couplers with novel auxochrome substituents and azomethine dyes and leuco forms thereof | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2022-05-24 | — | — | US | disclosed |
| CN-103601194-B | A method of regulation nano-silicon pattern and structure | 肖彦社 | 2019-04-12 | — | — | CN | disclosed |
| WO-2019032671-A1 | OXIDATIVE DYE COUPLERS WITH NOVEL AUXOCHROME SUBSTITUENTS AND AZOMETHINE DYES AND LEUCO FORMS THEREOF | COTY INC. (US) | 2019-02-14 | — | — | WO | disclosed |
| US-6123845-A | ADJACENT PARTICLES ARE FUSED TOGETHER. | UNIVERSITY OF PITTSBURGH (US) | 2000-09-26 | — | — | US | disclosed |
| US-6001251-A | Material for separating submicron particles | UNIVERSITY OF PITTSBURGH (US) | 1999-12-14 | — | — | US | disclosed |
| US-5944994-A | GEL MEMBRANE FILTER NIN A LIQUID | UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 1999-08-31 | — | — | US | disclosed |
| US-5711884-A | Method of filtering submicron particles with gel lattice membrane filter | UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 1998-01-27 | — | — | US | disclosed |
| US-5281370-A | Method of making solid crystalline narrow band radiation filter | UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 1994-01-25 | — | — | US | disclosed |