Hydrochloric Acid

Hydrochloric Acid

SCHEMBL310978

Cl.Cl.N=C(N)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

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 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.56
▸ SIGMAR1 known ✓ Q99720 1/20 0.53
▸ ABL1 known ✓ P00519 1/20 0.52
▸ DRD2 known ✓ P14416 2/20 0.52
▸ DRD4 known ✓ P21917 2/20 0.52
▸ DRD3 known ✓ P35462 2/20 0.52
▸ MEN1 O00255 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CCR3 P51677 1/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ CXCR4 P61073 1/20 0.51

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
SCHEMBL1135840 0.98 MEN1 (0.57) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL19385069 0.91 S1PR5 (0.53) MEN1TSHRKMT2AACHECCR3
SCHEMBL19385016 0.89 S1PR5 (0.54) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL5712502 0.84 NPC1 (0.70) MEN1TSHRKMT2AABL1RIN1
SCHEMBL518686 0.82 NPC1 (0.71) MEN1TSHRKMT2AABL1RIN1
SCHEMBL5501378 0.82 KMT2A (0.57) MEN1TSHRKMT2AACHECCR3
SCHEMBL19450826 0.82 MEN1 (0.51) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL6749089 0.80 ACHE (0.55) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL311655 0.80 ACHE (0.55) MEN1TSHRKMT2AACHECCR3
Hydrochloric Acid SCHEMBL2551741 0.80 MEN1 (0.68) MEN1TSHRKMT2AACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 — — EP disclosed
CN-101679439-B P70S 6 kinase inhibitors LILLY CO ELI 2013-09-11 — — CN disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 — — US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 — — US disclosed
CN-101679439-A P70S 6 kinase inhibitors LILLY CO ELI 2010-03-24 — — CN disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 — — EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 — — US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 — — 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 ACHE 4777/4885SIGMAR1 1797/4885ABL1 242/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 ACHE 4777/4885SIGMAR1 1797/4885ABL1 242/4885

“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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