Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5172286

COc1cc(C2Cc3ccccc3-c3nc(N)c4ccccc4c32)cc(OC)c1OC.Cl

nearest known ligand 0.41

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
GAA known ✓ P10253 3/20 0.41
DRD1 known ✓ P21728 3/20 0.38
DRD2 known ✓ P14416 2/20 0.38
HTR2C known ✓ P28335 2/20 0.38
HTR2A known ✓ P28223 1/20 0.38
HTR7 known ✓ P34969 1/20 0.38
ACHE known ✓ P22303 2/20 0.36
S1PR4 known ✓ O95977 1/20 0.36
GLA known ✓ P06280 1/20 0.36
POLB P06746 1/20 0.41
PNPLA2 Q96AD5 1/20 0.38
PTPRCAP Q14761 1/20 0.38
DHFR P00374 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 2/20 0.36

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
SCHEMBL5172582 0.99 GAA (0.41) GAAPOLBDRD1DRD2HTR2C
Perchlorate SCHEMBL6726394 0.93 GAA (0.38) GAAPOLBDRD1DRD2HTR2C
Hydrochloric Acid SCHEMBL7053408 0.89 NPSR1 (0.42) GAAPOLBDHFRALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5173953 0.84 POLB (0.41) GAAPOLBDRD2ALDH1A1KMT2A
SCHEMBL5184409 0.83 POLB (0.42) GAAPOLBDRD2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7053817 0.81 FGFR1 (0.44) POLBALDH1A1KDM4EACHE
Methylene Chloride SCHEMBL8060214 0.76 ACHE (0.39) ACHE
SCHEMBL14527575 0.74 GAA (0.34) GAAPOLBALDH1A1KMT2AMAPT
SCHEMBL6724474 0.68 MAPT (0.46) GAADHFRALDH1A1KMT2AMAPT
SCHEMBL2299077 0.62 ADORA1 (0.50) GAAALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334115-B1 PHENANTHRIDINE DERIVATIVES AND ANTITUMORAL MEDICAMENTS CONTAINING PHENANTHRIDINE CLEMENT BERND (DE) 2007-05-16 EP disclosed
US-6747038-B2 6-AMINO-11-(TRIMETHOXYPHENYL)BENZO(C)PHENANTHRIDINE, 6-AMINO-11,12-DIHYDRO-11-(TRIMETHOXYPHENYL)BENZO(C)PHENANTHRID INE AND THEIR SALTS CLEMENT BERND (DE) 2004-06-08 US disclosed
US-20040034051-A1 PHENANTHRIDINE DERIVATIVES AND ANTITUMORAL MEDICAMENTS CONTAINING PHENANTHRIDINE CLEMENT BERND (DE) 2004-02-19 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-20040034051-A1 PHENANTHRIDINE DERIVATIVES AND ANTITUMORAL MEDICAMENTS CONTAINING PHENANTHRIDINE VHL, ENTPD5, SLC30A5 GAA 302/4885DRD1 1993/4885DRD2 1494/4885

“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.