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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA7 | P43166 | 4/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.33 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3082211 | 0.97 | TSHR (0.43) | TSHRELANEDGAT1CA1CA2 | |
| Hydrogen Peroxide SCHEMBL22069984 | 0.95 | TSHR (0.42) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL29021409 | 0.86 | TSHR (0.39) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL18410854 | 0.86 | TSHR (0.39) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL14593926 | 0.82 | ELANE (0.36) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL28184447 | 0.80 | TSHR (0.31) | TSHRCA1CA2CA7 | |
| SCHEMBL18636468 | 0.80 | TSHR (0.42) | TSHRCA1CA2CA7HCAR2 | |
| SCHEMBL6009039 | 0.80 | ELANE (0.35) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL4958194 | 0.80 | ELANE (0.35) | TSHRELANEDGAT1CA1CA2 | |
| SCHEMBL15424713 | 0.79 | ELANE (0.32) | ELANEDGAT1CA1CA2CA7 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114341237-A | Polypropylene resin foamed particles, process for producing the same, and polypropylene resin foamed molded article | 株式会社钟化 | 2022-04-12 | — | — | CN | disclosed |
| CN-110430997-B | Bonded composite of thermoplastic resin fiber-reinforced composite material and metal member, and method for producing same | 株式会社钟化 | 2021-09-21 | — | — | CN | disclosed |
| US-8503853-B2 | Plastic optical fiber and plastic optical fiber code | TORAY INDUSTRIES, INC. (JP) | 2013-08-06 | — | — | US | disclosed |
| EP-2416189-B1 | PLASTIC OPTICAL FIBER AND PLASTIC OPTICAL FIBER CODE | TORAY INDUSTRIES (JP) | 2013-07-17 | — | — | EP | disclosed |
| US-8138287-B2 | (Meth)acrylate copolymer for syrup and resin composition thereof | IDEMITSU KOSAN CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2416189-A1 | PLASTIC OPTICAL FIBER AND PLASTIC OPTICAL FIBER CODE | Toray Industries, Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20120020637-A1 | PLASTIC OPTICAL FIBER AND PLASTIC OPTICAL FIBER CODE | TORAY INDUSTRIES, INC. (JP) | 2012-01-26 | — | — | US | disclosed |
| US-20100022733-A1 | (METH)ACRYLATE COPOLYMER FOR SYRUP AND RESIN COMPOSITION THEREOF | IDEMITSU KOSAN CO., LTD. (JP) | 2010-01-28 | — | — | US | disclosed |
| EP-2088164-A1 | (METH)ACRYLATE COPOLYMER FOR SYRUP AND RESIN COMPOSITION THEREOF | Idemitsu Kosan Co., Ltd. (JP) | 2009-08-12 | — | — | EP | disclosed |
| US-6562926-B1 | Method for producing water-soluble homopolymers and copolymers, comprising oligoalkylene-imine side chains of the general formula (I), wherein (AI)m, m, Y and x have the definitions given in claim 1, by radical polymerization for | BASF AKTIENGESELLSCHAFT (DE) | 2003-05-13 | — | — | US | disclosed |