Sugi Predict

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Ethane

Ethane

SCHEMBL8634247

CC.CC[Zr]([SiH3])(C1C=Cc2ccccc21)C1C=Cc2ccccc21.Cl.Cl

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A known ✓ P28223 2/20 0.34
▸ HTR6 known ✓ P50406 1/20 0.34
▸ SIGMAR1 known ✓ Q99720 6/20 0.33
▸ CHRM2 known ✓ P08172 1/20 0.32
▸ CHRM1 known ✓ P11229 1/20 0.32
▸ DRD2 known ✓ P14416 1/20 0.32
▸ ADRA2B known ✓ P18089 1/20 0.32
▸ ADRA2C known ✓ P18825 1/20 0.32
▸ CHRM3 known ✓ P20309 1/20 0.32
▸ SLC6A2 known ✓ P23975 1/20 0.32
▸ HTR2C known ✓ P28335 1/20 0.32
▸ ADRA1A known ✓ P35348 1/20 0.32
▸ HRH1 known ✓ P35367 1/20 0.32
▸ DRD3 known ✓ P35462 1/20 0.32
▸ OPRK1 known ✓ P41145 1/20 0.32
▸ HTR2B known ✓ P41595 1/20 0.32
▸ CACNA1B known ✓ Q00975 1/20 0.32
▸ SLC6A3 known ✓ Q01959 1/20 0.32
▸ KCNH2 known ✓ Q12809 1/20 0.32
▸ RET known ✓ P07949 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL8629477 0.92 HTR2A (0.35) HTR2AKDM4EHTR6MEN1PMP22
Ethane SCHEMBL8628956 0.81 RET (0.34) HTR2AKDM4EHTR6MEN1PMP22
Hydrochloric Acid SCHEMBL7615277 0.79 RET (0.35) HTR2AKDM4EHTR6MEN1PMP22
Hydrochloric Acid SCHEMBL4479572 0.78 RET (0.36) HTR2AKDM4EHTR6MEN1PMP22
Hexane SCHEMBL8634857 0.78 HTR2A (0.36) HTR2AKDM4EHTR6MEN1PMP22
SCHEMBL18952179 0.77 RET (0.36) HTR2AKDM4EHTR6MEN1PMP22
Ethylene SCHEMBL819259 0.76 HTR2A (0.36) HTR2AKDM4EHTR6MEN1PMP22
Hydrochloric Acid SCHEMBL4457343 0.74 KDM4E (0.40) HTR2AKDM4EHTR6MEN1PMP22
Propane SCHEMBL22261431 0.74 HTR2A (0.37) HTR2AKDM4EHTR6MEN1PMP22
SCHEMBL8677599 0.73 HTR2A (0.34) HTR2AKDM4EHTR6MEN1PMP22

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 — — US disclosed