Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Heptane. 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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL3040512 | 1.00 | TSHR (0.89) | — | |
| Hexadecane SCHEMBL5510405 | 1.00 | TSHR (0.89) | — | |
| Octane SCHEMBL8645563 | 1.00 | TSHR (0.89) | — | |
| Octane SCHEMBL9775406 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL10448068 | 1.00 | TSHR (0.89) | — | |
| Nonane SCHEMBL3814127 | 1.00 | TSHR (0.89) | — | |
| Decane SCHEMBL7183338 | 1.00 | TSHR (0.89) | — | |
| Octane SCHEMBL8167210 | 1.00 | TSHR (0.89) | — | |
| Nonane SCHEMBL2961102 | 1.00 | TSHR (0.89) | — | |
| Heptane SCHEMBL3638943 | 1.00 | — | — |
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 720 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 |
| WO-2025002452-A1 | LIQUID ORGANIC COMPOSITION FOR LITHIUM EXTRACTION, AND PREPARATION METHOD THEREFOR | 北京索特莱克科技发展有限公司 | 2025-01-02 | — | — | WO | claimed |
| CN-118079006-A | Skin composition | 国立大学法人东京医科齿科大学 | 2024-05-28 | — | — | CN | claimed |
| CN-117624189-A | Preparation method of 6-oxa-3-azabicyclo [3.1.1] heptane hydrochloride | 上海馨远医药科技有限公司 | 2024-03-01 | — | — | CN | claimed |
| CN-112592547-B | Anti-aging rubber sealing composite board and preparation method thereof | 江苏赛尔密封科技股份有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-113874044-A | Skin composition | 国立大学法人东京医科齿科大学 | 2021-12-31 | — | — | CN | claimed |
| CN-112920103-A | Method for mild preparation of 2-azaspiro [3.3] heptane hydrochloride | 康化（上海）新药研发有限公司 | 2021-06-08 | — | — | CN | claimed |
| WO-2020196801-A1 | SKIN COMPOSITION | 国立大学法人 東京医科歯科大学 | 2020-10-01 | — | — | WO | claimed |
| CN-110461817-A | Stable 1,3- bis- (carbamyl sulfenyl) -2-(N, N- dimethylamino)-propane hydrochloride salt and its manufacturing method | SUMITOMO CHEMICAL CO | 2019-11-15 | — | — | CN | claimed |
| CN-104177327-B | The preparation method of 6-amino-2-thia spiral shell [3,3] heptane hydrochloride | SHANGHAI INSTITUTE OF TECHNOLOGY (CN) | 2016-03-23 | — | — | CN | claimed |
| CN-105315287-A | Synthetic method for mono-N-t-butyloxycarbonyl-2,6-bisazaspiro[3,3] heptane hydrochloride | HANGZHOU CYCLIC PHARMATECHN CO LTD | 2016-02-10 | — | — | CN | claimed |
| CN-102741239-B | Bicyclic compounds as alpha4beta2 nicotinic acetylcholine receptor ligands | SUVEN LIFE SCIENCES LTD | 2015-06-24 | — | — | CN | claimed |
| CN-104177327-A | Preparation method of 6-amino-2-thiospiro[3,3]heptane hydrochloride | SHANGHAI INST TECHNOLOGY | 2014-12-03 | — | — | CN | claimed |
| CN-103073481-A | Preparation method for 4-azaspiro [2.4] heptane hydrochloride | WUXI APPTEC CO LTD | 2013-05-01 | — | — | CN | claimed |
| CN-102741239-A | Bicyclic compounds as alpha4beta2 nicotinic acetylcholine receptor ligands | SUVEN LIFE SCIENCES LTD | 2012-10-17 | — | — | 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-1777594-A | Synthesis of quetiapine and pharmaceutically acceptable salts thereof | TEVA PHARMA (IL) | 2006-05-24 | — | — | CN | claimed |
| CN-1703199-A | Aggregate with enhanced deformability comprising at least three amphiphiles for improved transport through a semi-permeable barrier and use of non-invasive drugs in vivo, in particular through the skin | IDEA AG (DE) | 2005-11-30 | — | — | CN | claimed |
| US-5679693-A | TREATMENT OF PATHOLOGICAL CONDITIONS INVOLVING THE TACHYKININ SYSTEM | SANOFI (FR) | 1997-10-21 | — | — | US | claimed |