Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| Butane SCHEMBL12504128 | 1.00 | — | — | |
| Butane SCHEMBL465295 | 1.00 | — | — | |
| Butane SCHEMBL465278 | 0.93 | — | — | |
| Butane SCHEMBL18039280 | 0.93 | — | — | |
| Butane SCHEMBL4362011 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL28863388 | 0.93 | TSHR (0.44) | — | |
| Butane SCHEMBL232861 | 0.93 | — | — | |
| Butane SCHEMBL5851369 | 0.93 | — | — | |
| Butane SCHEMBL814744 | 0.93 | — | — | |
| Butane SCHEMBL27927071 | 0.93 | TSHR (0.44) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110229189-B | Preparation method of tri-oxalic acid phosphate | 上海如鲲新材料有限公司 | 2021-05-07 | — | — | CN | disclosed |
| CN-110642883-A | Preparation method of difluoro oxalato borate | 上海如鲲新材料有限公司 | 2020-01-03 | — | — | CN | disclosed |
| CN-110627824-A | Preparation method of bisoxalato borate | 上海如鲲新材料有限公司 | 2019-12-31 | — | — | CN | disclosed |
| US-20070298085-A1 | Skin Sanitizing Object | THE CLOROX COMPANY | 2007-12-27 | — | — | US | disclosed |
| CN-1237109-C | Rubber composition and shockproof rubber and shockproof fittings | JSR CORP (JP) | 2006-01-18 | — | — | CN | disclosed |
| US-6812288-B2 | A CROSSLINKED RUBBER COMPRISING A STYRENE-BUTADIENE-BASED COPOLYMER AND A DIOLEFIN-BASED RUBBER | JSR CORPORATION (JP) | 2004-11-02 | — | — | US | disclosed |
| US-20030130402-A1 | Rubber composition, vibration-isolating rubber and vibration-isolating mount | JSR CORPORATION (JP) | 2003-07-10 | — | — | US | disclosed |
| CN-1428366-A | Rubber composition and shockproof rubber and shockproof fittings | JSR CORP (JP) | 2003-07-09 | — | — | CN | disclosed |
| EP-1323777-A1 | Rubber composition, vibration-isolating rubber and vibration-isolating mount | JSR Corporation (JP) | 2003-07-02 | — | — | EP | disclosed |
| CN-1105125-C | Rubber suitable for tire tread | TAIWAN RUBBER CO LTD (CN) | 2003-04-09 | — | — | CN | disclosed |
| EP-0044735-A2 | Transition metal composition, production and use | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| US-4301029-A | HAVING A LOWER PORTION OF HALOGEN | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-11-17 | — | — | US | disclosed |
| EP-0032308-A2 | Ethylene polymerisation process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-07-22 | — | — | EP | disclosed |
| EP-0032307-A2 | Catalyst component | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-07-22 | — | — | EP | disclosed |
| EP-0032309-A2 | Production of catalyst component, catalyst and use thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-07-22 | — | — | EP | disclosed |
| US-4263168-A | COMPRISING THE REACTION PRODUCT OF AN ORGANOMAGNESIUM HALIDE, AN ESTER, TITANIUM TETRACHLORIDE, AND AN ALUMINUM COMPOUND; STEREOSPECIFIC; PURITY | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-21 | — | — | US | disclosed |
| US-4252670-A | ORGANOMAGNESIUM COMPOUND, HALOGENATION, LEWIS BASE, TITANIUM TETRACHLORIDE | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-02-24 | — | — | US | disclosed |
| EP-0015048-A1 | Olefine polymerization catalyst and use thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-09-03 | — | — | EP | disclosed |
| EP-0014523-A1 | Olefine polymerisation catalyst and the production and use thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-08-20 | — | — | EP | disclosed |
| EP-0014524-A1 | Olefine polymerisation catalyst and the production and use thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-08-20 | — | — | EP | disclosed |