Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28699980

CCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.Cl

nearest known ligand 0.88

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
▸ HSP90AA1 known ✓ P07900 2/20 0.86
▸ GLA known ✓ P06280 1/20 0.83
▸ CYP1A2 P05177 3/20 0.88
▸ MAPK1 P28482 4/20 0.86
▸ MAPT P10636 4/20 0.86
▸ LMNA P02545 4/20 0.86
▸ MEN1 O00255 4/20 0.86
▸ KMT2A Q03164 4/20 0.86
▸ GMNN O75496 3/20 0.86
▸ NPSR1 Q6W5P4 3/20 0.86
▸ TP53 P04637 3/20 0.86
▸ TSHR P16473 3/20 0.86
▸ BLM P54132 2/20 0.86
▸ NR1H4 Q96RI1 2/20 0.86
▸ CYP2C9 P11712 2/20 0.86
▸ HIF1A Q16665 2/20 0.86
▸ PMP22 Q01453 1/20 0.83
▸ SLC25A20 O43772 3/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ SLC6A5 Q9Y345 2/20 0.65

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
SCHEMBL12137162 0.98 CYP1A2 (0.91) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL8617144 0.97 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL8617150 0.97 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL8617151 0.97 MAPK1 (0.89) CYP1A2MAPK1MAPTLMNAMEN1
Octanoylcarnitine SCHEMBL25331539 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL25330836 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL25331640 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL19470138 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1
Palmitoyl-Carnitine SCHEMBL25332029 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL28715073 0.94 MAPK1 (0.97) CYP1A2MAPK1MAPTLMNAMEN1

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-114076701-A Dried blood spot quality control product for newborn screening and preparation method thereof 上海安谱实验科技股份有限公司 2022-02-22 — — CN claimed
CN-114076701-A Dried blood spot quality control product for newborn screening and preparation method thereof 上海安谱实验科技股份有限公司 2022-02-22 — — CN disclosed
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