Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexadecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.89 |
| ▸ | THRB | P10828 | 1/20 | 0.89 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL3040512 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Octane SCHEMBL8645563 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Octane SCHEMBL9775406 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Decane SCHEMBL10448068 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Nonane SCHEMBL3814127 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Decane SCHEMBL7183338 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Octane SCHEMBL8167210 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Heptane SCHEMBL694283 | 1.00 | — | — | |
| Nonane SCHEMBL2961102 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110975653-B | Dinitrogen-containing spiro quaternary ammonium salt cross-linked anion exchange membrane material, and preparation method and application thereof | 河北科技大学 | 2021-12-14 | — | — | CN | claimed |
| CN-110975653-A | Dinitrogen-containing spiro quaternary ammonium salt cross-linked anion exchange membrane material, and preparation method and application thereof | 河北科技大学 | 2020-04-10 | — | — | CN | claimed |
| EP-1751264-A1 | BLEACHING COMPOSITION COMPRISING A CARBOHYDRATE OXIDASE | The Procter and Gamble Company (US) | 2007-02-14 | — | — | EP | claimed |
| WO-2005116180-A1 | BLEACHING COMPOSITION COMPRISING A CARBOHYDRATE OXIDASE | THE PROCTER & GAMBLE COMPANY (US) | 2005-12-08 | — | — | WO | claimed |
| US-20050256016-A1 | Bleaching composition comprising a carbohydrate oxidase | THE PROCTER & GAMBLE COMPANY | 2005-11-17 | — | — | US | claimed |
| WO-2026041790-A1 | DI(DISPIRODIAZATRIPIPERAZINE)-TRIAZINE DERIVATIVES AND THEIR USE FOR TREATMENT OR PREVENTION OF VIRAL INFECTIONS | Charité - Universitätsmedizin Berlin Körperschaft des öffentlichen Rechts (DE) | 2026-02-26 | — | — | WO | disclosed |
| CN-118239859-A | Hydrazide compound, rubber composition, and preparation methods and applications thereof | 中策橡胶集团股份有限公司 | 2024-06-25 | — | — | CN | disclosed |
| WO-2022124944-A1 | DI(DIAZONIADISPIRO[5.2.5.2]HEXADECAN)-5-NITROPYRIMIDINES FOR THE TREATMENT OF CORONAVIRAL INFECTIONS | FEDERAL RESEARCH CENTRE “FUNDAMENTALS OF BIOTECHNOLOGY” OF THE RUSSIAN ACADEMY OF SCIENCES (RU) | 2022-06-16 | — | — | WO | disclosed |
| CN-110975653-B | Dinitrogen-containing spiro quaternary ammonium salt cross-linked anion exchange membrane material, and preparation method and application thereof | 河北科技大学 | 2021-12-14 | — | — | CN | disclosed |
| CN-110975653-A | Dinitrogen-containing spiro quaternary ammonium salt cross-linked anion exchange membrane material, and preparation method and application thereof | 河北科技大学 | 2020-04-10 | — | — | CN | disclosed |
| CN-107533080-A | Ink jet deposition of reagents for histological samples | 文塔纳医疗系统公司 | 2018-01-02 | — | — | CN | disclosed |
| WO-2015167368-A1 | 4, 6-DI (3,12-DIAZA-6, 9-DIAZONIADISPIRO [5.2.5.2] HEXANDECAN-1-YL) -2-METHYL-5-NITROPYRIMIDINE TETRACHLORIDE DIHYDROCHLORIDE HEXAHYDRATE FOR THE TREATMENT OF HERPETIC INFECTION AND A TOPICAL PHARMACEUTICAL COMPOSITION | LIMITED LIABILITY COMPANY "NEARMEDIC PLUS" (RU) | 2015-11-05 | — | — | WO | disclosed |