Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9775418 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL706829 | 1.00 | — | — | |
| Hexane SCHEMBL27852015 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL2557033 | 1.00 | TSHR (0.78) | — | |
| Hexane SCHEMBL8462942 | 0.94 | — | — | |
| Hexane SCHEMBL7258814 | 0.94 | TSHR (0.70) | — | |
| Decane SCHEMBL7183338 | 0.94 | TSHR (0.89) | — | |
| Heptane SCHEMBL694283 | 0.94 | — | — | |
| Nonane SCHEMBL2961102 | 0.94 | TSHR (0.89) | — | |
| Decane SCHEMBL10448068 | 0.94 | TSHR (0.89) | — |
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 1079 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119565396-A | Acid and alkali resistant positively charged composite nanofiltration membrane and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-03-07 | — | — | CN | claimed |
| CN-119425422-A | Positively charged composite nanofiltration membrane and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-02-14 | — | — | CN | claimed |
| CN-119390919-A | Aromatic biguanide covalent organic framework material and preparation method and application thereof | 北京师范大学 | 2025-02-07 | — | — | CN | claimed |
| CN-118084767-A | Synthesis method of exo-6-fluoromethyl-3-azabicyclo [3,1,0] hexane hydrochloride and derivative thereof | 康龙化成手性医药技术(宁波)有限公司 | 2024-05-28 | — | — | CN | claimed |
| CN-117466800-A | Crystalline compounds | 大塚制药美国公司 | 2024-01-30 | — | — | CN | claimed |
| CN-117088802-A | Crystalline compounds | 大塚制药美国公司 | 2023-11-21 | — | — | CN | claimed |
| CN-116655604-A | Novel synthesis method of Pa Luo Weide | 苏州第四制药厂有限公司 | 2023-08-29 | — | — | CN | claimed |
| CN-116583261-A | Method for combating microorganisms using menthol derivatives | 西姆莱斯股份公司 | 2023-08-11 | — | — | CN | claimed |
| CN-113354683-B | Biphosphine ligand, preparation method and application thereof | 万华化学集团股份有限公司 | 2023-05-30 | — | — | CN | claimed |
| CN-115160196-A | Preparation method of symmetrical thioether compound | 浙江大学衢州研究院 | 2022-10-11 | — | — | CN | claimed |
| CN-102234392-A | Antibacterial biaxially oriented polypropylene film and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2011-11-09 | — | — | CN | claimed |
| CN-1946714-B | Azabicyclo (3.1.0) hexane derivatives useful as modulators of dopamine d3 receptors | GLAXO GROUP LTD | 2011-06-15 | — | — | CN | claimed |
| CN-102017979-A | Poly-guanidine pyrithione acid salt antimicrobial and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2011-04-20 | — | — | CN | claimed |
| CN-101926353-A | Disinfectant in field of food and preparation method | XU GAO | 2010-12-29 | — | — | CN | claimed |
| CN-101230461-B | Acid etching solution used for copper or copper alloy surface and surface treatment method | SHANTOU ULTRASONIC PRINTED BOARD NO 2 FACTORY CO LTD | 2010-08-04 | — | — | CN | claimed |
| CN-101628035-A | Suppository for treating livestock endometritis | YANTAI LUYE ANIMAL HEALTH CO L | 2010-01-20 | — | — | CN | claimed |
| CN-101289536-A | Method for preparing poly(hexamethylene) hydrochloride | JIANWEN FANG (CN) | 2008-10-22 | — | — | CN | claimed |
| CN-101272684-A | Methods and compositions for the treatment of neuropathies and related disorders | DOV PHARMACEUTICAL INC (US) | 2008-09-24 | — | — | CN | claimed |
| CN-101230461-A | Acid etching solution used for copper or copper alloy surface and surface treatment method | SHANTOU ULTRASONIC PRINTED BOA (CN) | 2008-07-30 | — | — | CN | claimed |
| CN-101230462-A | Etching liquid and method for manufacturing printed circuit board | SHANTOU ULTRASONIC PRINTED BOA (CN) | 2008-07-30 | — | — | CN | claimed |