Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6258586

Cl.Nc1nc2ncn(Cc3ccc4ccccc4c3)c2c(=O)[nH]1

nearest known ligand 0.48

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 11)

geneUniProtsupporting neighboursconfidence
PNP known ✓ P00491 7/20 0.48
CYP19A1 known ✓ P11511 1/20 0.40
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.45
NOS1 P29475 1/20 0.44
DAO P14920 1/20 0.43
TYMS P04818 2/20 0.41
ADORA2A P29274 1/20 0.41
TRPA1 O75762 1/20 0.39

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
SCHEMBL7111737 0.99 PNP (0.49) PNPALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL7773119 0.87 PNP (0.63) PNPALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL5718893 0.87 PNP (0.63) PNPALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL1713573 0.85 PNP (0.64) PNPALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL7114730 0.85 PNP (0.55) PNPALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL7111111 0.83 PNP (0.56) PNPALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL7985648 0.83 HPGD (0.47) ALDH1A1SMN1; SMN2KMT2AHPGDDAO
SCHEMBL16028279 0.82 TYMS (0.53) PNPALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL7819451 0.81 TYMS (0.56) PNPALDH1A1SMN1; SMN2KMT2AHPGD
Hydrochloric Acid SCHEMBL17186521 0.81 PNP (0.74) PNPADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390368-B1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-10-26 EP disclosed
US-20050037990-A1 Disubstituted 7,9-guanines halides as telomerase inhibitors PHARMACIA ITALIA (IT) 2005-02-17 US disclosed
US-20040138212-A1 Disubstituted 1,7-guanines PHARMACIA ITALIA, S.P.A. (IT) 2004-07-15 US disclosed
EP-1390368-A1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-02-25 EP disclosed
EP-1383766-A1 DISUBSTITUTED 1,7-GUANINES Pharmacia Italia S.p.A. (IT) 2004-01-28 EP disclosed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US disclosed
WO-2002090358-A1 DISUBSTITUTED 7,9-GUANINIUM HALIDES AS TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO disclosed
WO-2002090357-A1 DISUBSTITUTED 1,7-GUANINES PHARMACIA ITALIA S.P.A. (IT) 2002-11-14 WO disclosed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 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 (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-20040138212-A1 Disubstituted 1,7-guanines GDA, UNG, TYMS PNP 77/4885CYP19A1 4257/4885ALDH1A1 2138/4885
US-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 PNP 646/4885CYP19A1 3998/4885ALDH1A1 2360/4885
US-20050037990-A1 Disubstituted 7,9-guanines halides as telomerase inhibitors TERT, POT1, RNMT PNP 51/4885CYP19A1 4392/4885ALDH1A1 2058/4885

“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.