Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Octane. 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 | |
| Hexadecane SCHEMBL5510405 | 1.00 | TSHR (0.89) | TSHRTHRBDNM1LMNAALDH1A1 | |
| Octane SCHEMBL8645563 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113811387-B | Modified clay adsorbent and method for adsorbing PFAS using the same | 密执安特种矿石公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-113811387-A | Modified clay adsorbent and method for adsorbing PFAS using the same | 密执安特种矿石公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-106977629-A | Effectively utilize the high molecular manufacture method of conjugated diene of parallel polymerization reactor | 韩华道达尔有限公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-1262344-C | Very small chemical device and flow rate adjusting method thereof | KAWAMURA INST CHEM RES (JP) | 2006-07-05 | — | — | CN | disclosed |
| CN-1222466-C | Microdevice having multilayer structure and method for fabricating the same | KAWAMURA INST CHEM RES (JP) | 2005-10-12 | — | — | CN | disclosed |
| CN-1460036-A | Very small chemical device and flow rate adjusting method thereof | KAWAMURA INST CHEM RES (JP) | 2003-12-03 | — | — | CN | disclosed |
| CN-1437560-A | Microdevice having multilayer structure and method for fabricating the same | KAWAMURA INST CHEM RES (JP) | 2003-08-20 | — | — | CN | disclosed |
| US-5027157-A | Developing device provided with electrodes for inducing a traveling wave on the developing material | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1991-06-25 | — | — | US | disclosed |
| US-4867541-A | FILM FORMED BY PLASMA POLYMERIZATION OF PHTHALOCYANINE COMPOUND | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-09-19 | — | — | US | disclosed |
| US-4828369-A | ELECTROLYTES, PLASMA POLYMERIZATION OF HYDROCARBON, ALKALI METAL /COMPOUND/, ELECTRONEGATIVITY | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-05-09 | — | — | US | disclosed |