Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2211447

Cl.O=C(O)c1ccc(F)nc1F

nearest known ligand 0.48

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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
GABRP known ✓ O00591 2/20 0.38
GABRD known ✓ O14764 2/20 0.38
GABRA1 known ✓ P14867 2/20 0.38
GABRB1 known ✓ P18505 2/20 0.38
GABRG2 known ✓ P18507 2/20 0.38
GABRB3 known ✓ P28472 2/20 0.38
GABRA5 known ✓ P31644 2/20 0.38
GABRA3 known ✓ P34903 2/20 0.38
GABRA2 known ✓ P47869 2/20 0.38
GABRB2 known ✓ P47870 2/20 0.38
GABRA4 known ✓ P48169 2/20 0.38
GABRE known ✓ P78334 2/20 0.38
GABRA6 known ✓ Q16445 2/20 0.38
GABRG1 known ✓ Q8N1C3 2/20 0.38
GABRG3 known ✓ Q99928 2/20 0.38
GABRQ known ✓ Q9UN88 2/20 0.38
CA2 known ✓ P00918 1/20 0.34
NAPRT Q6XQN6 1/20 0.48
CYP1A2 P05177 1/20 0.42
KEAP1 Q14145 2/20 0.38

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
SCHEMBL445478 0.98 NAPRT (0.50) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL29551348 0.98 NAPRT (0.50) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL7537222 0.82 CYP1A2 (0.46) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL31253326 0.82 CYP1A2 (0.46) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL4775026 0.81 CES2 (0.34) NAPRTCYP1A2POLB
Hydrochloric Acid SCHEMBL15529784 0.79 GABRP (0.58) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL27782308 0.78 NAPRT (0.48) NAPRTCYP1A2KEAP1GABRPGABRD
SCHEMBL30934037 0.78 ALDH1A1 (0.43) NAPRTKEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL30641935 0.78 DGAT1 (0.42) KDM4EALDH1A1TDP1TSHR
SCHEMBL447058 0.78 ALDH1A1 (0.43) NAPRTKEAP1NFE2L2ALDH1A1ALOX15

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
US-8030318-B2 e.g. 4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido-[2,3-d]pyrimidin-4-ylamino]-nicotinic acid; viricide; transforming growth factor-beta inhibitor; hepatitis C infection; fibroproliferative conditions: fibrosis, glomerulonephritis, diabetic nephropathy, and certain cancers TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-04 US disclosed
EP-1869037-B1 HETEROBICYLIC INHIBITORS OF HVC TIBOTEC PHARM LTD (IE) 2011-07-27 EP disclosed
US-20080182863-A1 Fused Bicyclic Inhibitors of Hcv TIBOTEC BVBA (BE) 2008-07-31 US disclosed
EP-1869037-A1 HETEROBICYLIC INHIBITORS OF HVC Tibotec Pharmaceuticals Ltd. (IE) 2007-12-26 EP disclosed
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta SCIOS, INC. (US) 2007-03-22 US disclosed
WO-2006100310-A1 HETEROBICYLIC INHIBITORS OF HCV TIBOTEC PHARMACEUTICALS LTD (IE) 2006-09-28 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-20080182863-A1 Fused Bicyclic Inhibitors of Hcv HAVCR2, GTF3C4, CUL4A GABRP 1086/4885GABRD 2128/4885GABRA1 2796/4885
US-20070066632-A1 Fused bicyclic inhibitors of TGFbeta TGFBR1, TGFB1, SMAD2 GABRP 1191/4885GABRD 1466/4885GABRA1 2186/4885

“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.