Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3185751

Cl.Clc1ccnc(N2CCNCC2)c1

nearest known ligand 0.59

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
▸ HTR6 known ✓ P50406 2/20 0.59
▸ MAOB known ✓ P27338 1/20 0.59
▸ ADRB1 known ✓ P08588 2/20 0.58
▸ HTR3E known ✓ A5X5Y0 3/20 0.54
▸ HTR3B known ✓ O95264 3/20 0.54
▸ HTR3A known ✓ P46098 3/20 0.54
▸ HTR3D known ✓ Q70Z44 3/20 0.54
▸ HTR3C known ✓ Q8WXA8 3/20 0.54
▸ ADRB2 known ✓ P07550 1/20 0.54
▸ HRH3 known ✓ Q9Y5N1 1/20 0.50
▸ HTR1A known ✓ P08908 1/20 0.49
▸ HTR2A known ✓ P28223 1/20 0.49
▸ HTR2C known ✓ P28335 1/20 0.49
▸ SLC6A4 known ✓ P31645 1/20 0.49
▸ HTR7 known ✓ P34969 1/20 0.49
▸ HTR2B known ✓ P41595 1/20 0.49
▸ SIGMAR1 known ✓ Q99720 1/20 0.49
▸ PLD1 Q13393 1/20 0.54
▸ NCF1 P14598 1/20 0.54
▸ DYRK1A Q13627 1/20 0.49

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
Hydrochloric Acid SCHEMBL31061057 1.00 HTR6 (0.59) HTR6MAOBADRB1PLD1HTR3E
SCHEMBL29937735 0.98 ADRB1 (0.59) HTR6MAOBADRB1PLD1HTR3E
SCHEMBL1026310 0.98 ADRB1 (0.59) HTR6MAOBADRB1PLD1HTR3E
SCHEMBL24615261 0.82 HRH4 (0.47) HTR6MAOBADRB1CYP1A2HTR7
SCHEMBL29157425 0.81 DYRK1A (0.61) ADRB1DYRK1ANMT1
SCHEMBL19027125 0.80 HRH4 (0.54) TP53CYP1A2HTR7HTTALDH1A1
Hydrochloric Acid SCHEMBL20339443 0.79 ADRB1 (0.58) HTR6MAOBADRB1PLD1HTR3A
Hydrochloric Acid SCHEMBL31061135 0.79 ADRB1 (0.62) HTR6MAOBADRB1PLD1HRH3
Hydrochloric Acid SCHEMBL31061151 0.79 ADRB1 (0.58) HTR6MAOBADRB1PLD1HTR3A
SCHEMBL1558641 0.77 ADRB1 (0.59) HTR6MAOBADRB1PLD1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 — — EP disclosed
US-7652015-B2 Suppression cytokines , tumor necrosis factor ELI LILLY AND COMPANY (US) 2010-01-26 — — US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 — — US disclosed
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 — — CN disclosed
EP-1943243-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 — — EP disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 — — 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-20080269244-A1 Kinase Inhibitors MAP3K1, MAP3K20, MAP3K19 HTR6 3991/4885MAOB 3669/4885ADRB1 1043/4885

“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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