Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2386489

Cl.NC(=NO)c1cn(C2OC(CO)C(O)C2O)c2ncnc(NO)c12

nearest known ligand 0.98

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
▸ S1PR4 known ✓ O95977 1/20 0.57
▸ S1PR1 known ✓ P21453 1/20 0.57
▸ HDAC6 known ✓ Q9UBN7 1/20 0.48
▸ SIGMAR1 known ✓ Q99720 2/20 0.47
▸ ADRA2C known ✓ P18825 1/20 0.47
▸ OPRK1 known ✓ P41145 1/20 0.47
▸ HTR2B known ✓ P41595 1/20 0.47
▸ HTR6 known ✓ P50406 1/20 0.47
▸ HIF1A Q16665 3/20 0.98
▸ TP53 P04637 2/20 0.98
▸ STAT6 P42226 2/20 0.98
▸ PAX8 Q06710 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ GALR3 O60755 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ADK P55263 7/20 0.55
▸ DOT1L Q8TEK3 2/20 0.50

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
SCHEMBL3658127 0.99 HIF1A (1.00) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL3658125 0.99 HIF1A (1.00) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL26031534 0.88 HIF1A (0.80) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2788440 0.86 HIF1A (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2788446 0.86 HIF1A (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL25025607 0.86 NPC1 (0.77) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL13021233 0.85 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2784937 0.85 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL2784929 0.85 HIF1A (0.75) HIF1ATP53STAT6PAX8ALDH1A1
SCHEMBL13021287 0.85 TP53 (0.75) HIF1ATP53STAT6PAX8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218210-A1 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION Taiga Biotechnologies (US) 2011-09-08 — — US disclosed
EP-2214670-A2 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION Taiga Biotechnologies, Inc. (US) 2010-08-11 — — EP disclosed
WO-2009059304-A2 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION TAIGA BIOTECHNOLOGIES, INC. (US) 2009-05-07 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110218210-A1 COMPOUNDS FOR TREATING ABNORMAL CELLULAR PROLIFERATION MKI67, PCNA, CCNC S1PR4 3964/4885S1PR1 3554/4885HDAC6 377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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