Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28464112

C=Cc1ccc(CN=C(N)N)cc1.Cl

nearest known ligand 0.69

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 Hydrochloric Acid. 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
▸ GRIN1 known ✓ Q05586 7/20 0.50
▸ GRIN2B known ✓ Q13224 7/20 0.50
▸ GRIN2D known ✓ O15399 5/20 0.50
▸ GRIN3B known ✓ O60391 5/20 0.50
▸ GRIN2A known ✓ Q12879 5/20 0.50
▸ GRIN2C known ✓ Q14957 5/20 0.50
▸ GRIN3A known ✓ Q8TCU5 5/20 0.50
▸ HTR3E known ✓ A5X5Y0 1/20 0.42
▸ HTR3B known ✓ O95264 1/20 0.42
▸ HTR3A known ✓ P46098 1/20 0.42
▸ HTR3D known ✓ Q70Z44 1/20 0.42
▸ HTR3C known ✓ Q8WXA8 1/20 0.42
▸ ADRA2A known ✓ P08913 2/20 0.41
▸ HTR1A known ✓ P08908 1/20 0.41
▸ MAOA known ✓ P21397 1/20 0.41
▸ DRD1 known ✓ P21728 1/20 0.41
▸ SLC6A2 known ✓ P23975 1/20 0.41
▸ ADRA1A known ✓ P35348 1/20 0.41
▸ OPRM1 known ✓ P35372 1/20 0.41
▸ DRD3 known ✓ P35462 1/20 0.41

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
SCHEMBL28464229 0.98 GRIN1 (0.47) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL27636313 0.74 GRIN2B (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL19520756 0.74 GRIN2D (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Hydrochloric Acid SCHEMBL4629266 0.73 GRIN2B (0.72) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL7635935 0.73 GRIN1 (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4094076 0.73 GRIN2D (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL9667523 0.71 TAAR1 (0.71) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL17351900 0.71 GRIN2B (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL12630756 0.71 ALDH1A1 (0.50) ALDH1A1
SCHEMBL4097844 0.71 GRIN2D (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111567927-B Hydrophobic sterilization mask 北京大学深圳研究生院 2022-06-17 — — CN disclosed
CN-111567927-A Hydrophobic sterilization mask 北京大学深圳研究生院 2020-08-25 — — CN disclosed
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