Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL23722141

Cc1cccc(C(CC(=O)NCCN2CCCC2)c2cn(Cc3ccccc3)c3ccccc23)c1.Cl

nearest known ligand 0.45

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
▸ CACNA1G known ✓ O43497 4/20 0.45
▸ CACNB4 known ✓ O00305 2/20 0.45
▸ CACNA1A known ✓ O00555 2/20 0.45
▸ CACNG3 known ✓ O60359 2/20 0.45
▸ CACNA1F known ✓ O60840 2/20 0.45
▸ CACNA1H known ✓ O95180 2/20 0.45
▸ CACNB3 known ✓ P54284 2/20 0.45
▸ CACNA2D1 known ✓ P54289 2/20 0.45
▸ CACNG7 known ✓ P62955 2/20 0.45
▸ CACNA1B known ✓ Q00975 2/20 0.45
▸ CACNA1D known ✓ Q01668 2/20 0.45
▸ CACNB1 known ✓ Q02641 2/20 0.45
▸ CACNG1 known ✓ Q06432 2/20 0.45
▸ CACNB2 known ✓ Q08289 2/20 0.45
▸ CACNA1S known ✓ Q13698 2/20 0.45
▸ CACNA1C known ✓ Q13936 2/20 0.45
▸ CACNA1E known ✓ Q15878 2/20 0.45
▸ CACNA2D4 known ✓ Q7Z3S7 2/20 0.45
▸ CACNA2D3 known ✓ Q8IZS8 2/20 0.45
▸ CACNG8 known ✓ Q8WXS5 2/20 0.45

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
SCHEMBL23721942 0.99 CACNA1G (0.46) CACNA1GCACNB4CACNA1ACACNG3CACNA1F
Hydrochloric Acid SCHEMBL23721926 0.90 MTNR1A (0.45) CACNA1GALDH1A1HSD17B10USP2POLB
SCHEMBL23745498 0.89 MTNR1A (0.45) CACNA1GALDH1A1HSD17B10USP2POLB
Hydrochloric Acid SCHEMBL23722081 0.88 ALDH1A1 (0.40) CACNA1GALDH1A1HSD17B10USP2RAB9A
SCHEMBL23516678 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2POLBRAB9A
SCHEMBL23745553 0.87 ALDH1A1 (0.40) CACNA1GCACNB4CACNA1ACACNG3CACNA1F
SCHEMBL23638864 0.87 GAA (0.48) ALDH1A1HSD17B10RAB9ASMN1; SMN2GLA
Hydrochloric Acid SCHEMBL23721925 0.85 SMN1; SMN2 (0.44) ALDH1A1HSD17B10USP2POLBRAB9A
SCHEMBL23745645 0.85 ACHE (0.47) ALDH1A1HSD17B10USP2POLBSMN1; SMN2
SCHEMBL23745714 0.84 ALDH1A1 (0.45) ALDH1A1HSD17B10USP2POLBICMT

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 — — US 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 CACNA1G 4217/4885CACNB4 4619/4885CACNA1A 3127/4885

“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.