Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5608519

COc1ccc(CP)cc1.Cl

nearest known ligand 0.56

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
▸ CA2 known ✓ P00918 1/20 0.55
▸ MAOB known ✓ P27338 2/20 0.50
▸ SLC6A4 known ✓ P31645 1/20 0.48
▸ IDO1 P14902 4/20 0.56
▸ AGXT P21549 2/20 0.56
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ LTA4H P09960 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4187515 0.97 IDO1 (0.58) IDO1AGXTCA12CA1CA2
Bromide SCHEMBL4224240 0.95 IDO1 (0.56) IDO1AGXTCA12CA1CA2
Phosphine SCHEMBL27570532 0.95 IDO1 (0.56) IDO1AGXTCA12CA1CA2
SCHEMBL16760161 0.78 TAAR1 (0.61) IDO1AGXTCA12CA1CA2
1,4-Dimethoxybenzene SCHEMBL27866971 0.78 CA1 (0.92) IDO1AGXTCA12CA1CA2
Hydrochloric Acid SCHEMBL246729 0.77 IDO1 (0.58) IDO1AGXTCA12CA1CA2
SCHEMBL834551 0.76 TAAR1 (0.73) IDO1AGXTCA12CA1CA2
SCHEMBL27884 0.76 LTA4H (0.81) IDO1AGXTCA12CA1CA2
SCHEMBL25986524 0.76 LTA4H (0.81) IDO1AGXTCA12CA1CA2
SCHEMBL1425001 0.76 LTA4H (0.81) IDO1AGXTCA12CA1CA2

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
US-8853270-B2 Substituted stilbenes and their reactions UNIVERSITY OF SALFORD (GB) 2014-10-07 — — US disclosed
US-20130023663-A1 SUBSTITUTED STILBENES AND THEIR REACTIONS HADFIELD JOHN ANTHONY (GB) 2013-01-24 — — US disclosed
US-20070203217-A1 SUBSTITUTED STILBENES AND THEIR REACTIONS UNIVERSITEIT UTRECHT UU HOLDING B.V. (NL) 2007-08-30 — — US disclosed
US-7220784-B2 Substituted stilbenes and their reactions CANCER RESEARCH VENTURES LIMITED (GB) 2007-05-22 — — US disclosed
US-20040152629-A1 For use as anticancer compounds and prodrugs CANCER RESEARCH VENTURES LIMITED (GB) 2004-08-05 — — US disclosed
EP-1351912-A2 SUBSTITUTED STILBENES, THEIR REACTIONS AND ANTICANCER ACTIVITY Cancer Research Ventures Limited (GB) 2003-10-15 — — EP disclosed
WO-2002050007-A2 SUBSTITUTED STILBENES, THEIR REACTIONS AND ANTICANCER ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-06-27 — — WO disclosed
US-4572884-A Stilbene derivatives and electrophotographic photoconductor comprising one stilbene derivative RICOH COMPANY, LTD. (JP) 1986-02-25 — — 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 (3 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-20130023663-A1 SUBSTITUTED STILBENES AND THEIR REACTIONS BLVRB, BBOX1, SQLE CA2 521/4885MAOB 131/4885SLC6A4 359/4885
US-20040152629-A1 For use as anticancer compounds and prodrugs QPCT, PAM, AURKB CA2 820/4885MAOB 8/4885SLC6A4 448/4885
US-20070203217-A1 SUBSTITUTED STILBENES AND THEIR REACTIONS CASP4, ATG4B, CTSB CA2 514/4885MAOB 23/4885SLC6A4 211/4885

“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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