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.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ODC1 known ✓ | P11926 | 1/20 | 0.39 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.37 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL667646 | 0.96 | — | — | |
| SCHEMBL758346 | 0.96 | ODC1 (0.41) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| Aminooxyethoxyethoxyethylhydroxylamine SCHEMBL43069 | 0.96 | ODC1 (0.41) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL10076924 | 0.96 | ODC1 (0.41) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL11885390 | 0.96 | ODC1 (0.41) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| Water SCHEMBL18302893 | 0.87 | ODC1 (0.47) | ODC1ADRB2ADRB1ADRB3 | |
| SCHEMBL22169531 | 0.85 | ODC1 (0.42) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| Water SCHEMBL28268115 | 0.84 | MEN1 (0.65) | ODC1MEN1KMT2A | |
| SCHEMBL24500071 | 0.82 | ODC1 (0.47) | ODC1ADRB2ADRB1ADRB3MEN1 | |
| SCHEMBL13221671 | 0.82 | ODC1 (0.47) | ODC1ADRB2ADRB1ADRB3MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10814314-B2 | Catalyst for aminating polyether polyol and preparation method thereof and method of preparing polyetheramines using catalyst thereof | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2020-10-27 | — | — | US | disclosed |
| EP-3375520-B1 | CATALYST FOR AMINATING POLYETHER POLYOL AND PREPARATION METHOD THEREOF AND METHOD OF PREPARING A POLYETHERAMINE USING CATALYST | WANHUA CHEMICAL GROUP CO LTD (CN) | 2020-06-17 | — | — | EP | disclosed |
| US-20180318806-A1 | CATALYST FOR AMINATING POLYETHER POLYOL AND PREPARATION METHOD THEREOF AND METHOD OF PREPARING POLYETHERAMINES USING CATALYST THEREOF | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2018-11-08 | — | — | US | disclosed |
| EP-3375520-A1 | CATALYST FOR AMINATING POLYETHER POLYOL AND PREPARATION METHOD THEREOF AND METHOD OF PREPARING A POLYETHERAMINE USING CATALYST | Wanhua Chemical Group Co., Ltd. (CN) | 2018-09-19 | — | — | EP | disclosed |