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 SCHEMBL930845 | 1.00 | — | — | |
| Water SCHEMBL214101 | 1.00 | — | — | |
| Water SCHEMBL9155131 | 1.00 | — | — | |
| Water SCHEMBL18315298 | 1.00 | — | — | |
| Water SCHEMBL113581 | 1.00 | — | — | |
| Water SCHEMBL25334174 | 1.00 | — | — | |
| Water SCHEMBL27535961 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL15254215 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL93147 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27952085 | 0.82 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118440530-A | Nano antirust filler and storage tank outer wall paint containing same | 上海鑫鸿盛新材料有限公司 | 2024-08-06 | — | — | CN | claimed |
| CN-119186590-A | Catalyst for producing hydrogen by ammonia decomposition and preparation method and application thereof | 厦门大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-118440530-A | Nano antirust filler and storage tank outer wall paint containing same | 上海鑫鸿盛新材料有限公司 | 2024-08-06 | — | — | CN | disclosed |
| EP-0745073-B1 | 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID | SYNTEX INC (US) | 2000-07-12 | — | — | EP | disclosed |
| EP-0745072-B1 | 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID | SYNTEX INC (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5633279-A | 5-substituted derivatives of mycophenolic acid | SYNTEX (U.S.A.) INC. (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0745071-A1 | 4-AMINO 6-SUBSTITUTED MYCOPHENOLIC ACID AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| EP-0745073-A1 | 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID | SYNTEX (U.S.A.) INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| EP-0745075-A1 | 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| EP-0745072-A1 | 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID | SYNTEX (U.S.A.) INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| US-5512568-A | FOR TREATING A MAMMAL HAVING A DISEASE STATE THAT IS ALLEVIATED BY TREATMENT WITH AN INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE INHIBITOR | SYNTEX (U.S.A.) INC. (US) | 1996-04-30 | — | — | US | disclosed |
| US-5493030-A | CHEMICAL INTERMEDIATES | SYNTEX (U.S.A.) INC. (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1995022538-A1 | 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID | SYNTEX (U.S.A.) INC. (US) | 1995-08-24 | — | — | WO | disclosed |
| WO-1995022534-A1 | 4-AMINO 6-SUBSTITUTED MYCOPHENOLIC ACID AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1995-08-24 | — | — | WO | disclosed |
| WO-1995022536-A1 | 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1995-08-24 | — | — | WO | disclosed |
| WO-1995022537-A2 | 4-AMINO DERIVATIVES OF 5-SUBSTITUTED MYCOPHENOLIC ACID | SYNTEX (U.S.A.) INC. (US) | 1995-08-24 | — | — | WO | disclosed |
| US-5444072-A | Useful in treatment of autoimmune disorders, psoriasis, inflammatory diseases, rheumatoid arthritis | SYNTEX (U.S.A.) INC. (US) | 1995-08-22 | — | — | US | disclosed |
| EP-0219580-B1 | STEREO-SELECTIVE REDUCTION | THE UPJOHN COMPANY (US) | 1989-11-29 | — | — | EP | disclosed |
| US-4739078-A | Use of borohydride-salt lanthanide salt reagents for stereo selective reduction of C-15-keto prostaglandin precursors | THE UPJOHN COMPANY (US) | 1988-04-19 | — | — | US | disclosed |
| EP-0219580-A1 | Stereo-selective reduction | THE UPJOHN COMPANY (US) | 1987-04-29 | — | — | EP | disclosed |