Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6502773

CCCc1cn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCOC(=O)[C@@H](N)C(C)C)CC4)ccc3OCC)nc12.Cl.Cl

nearest known ligand 0.73

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
▸ PDE5A known ✓ O76074 20/20 0.73
▸ PDE3B known ✓ Q13370 3/20 0.58
▸ PDE3A known ✓ Q14432 3/20 0.58
▸ HDAC1 known ✓ Q13547 2/20 0.56
▸ HDAC6 known ✓ Q9UBN7 2/20 0.56
▸ HDAC2 known ✓ Q92769 1/20 0.55
▸ PDE8A known ✓ O60658 1/20 0.54
▸ HTR1A known ✓ P08908 1/20 0.54
▸ PDE4A known ✓ P27815 1/20 0.54
▸ ADRA1A known ✓ P35348 1/20 0.54
▸ PDE4B known ✓ Q07343 1/20 0.54
▸ PDE4C known ✓ Q08493 1/20 0.54
▸ PDE4D known ✓ Q08499 1/20 0.54
▸ KCNH2 known ✓ Q12809 1/20 0.54
▸ CACNA1C known ✓ Q13936 1/20 0.54
▸ PDE7A known ✓ Q13946 1/20 0.54
▸ PDE2A O00408 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ ABCC5 O15440 1/20 0.54
▸ PDE6D O43924 1/20 0.54

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
Hydrochloric Acid SCHEMBL6508168 0.96 PDE5A (0.74) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6501252 0.90 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
Sulfuric Acid SCHEMBL7012672 0.89 PDE5A (0.78) PDE5APDE3BPDE3AHDAC1HDAC6
Hydrochloric Acid SCHEMBL6641810 0.88 PDE5A (0.82) PDE5APDE3BPDE3AHDAC1HDAC6
Sulfuric Acid SCHEMBL7012675 0.88 PDE5A (0.76) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6639437 0.87 PDE5A (0.77) PDE5APDE3BPDE3AHDAC1HDAC6
Hydrochloric Acid SCHEMBL6643457 0.87 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6529760 0.87 PDE5A (0.84) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6501150 0.87 PDE5A (0.67) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6485584 0.86 PDE5A (0.81) PDE5APDE3BPDE3AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130983-A1 Pyrrolopyrimidinone derivatives, process for preparation thereof, and method of using and composition comprising them IN2GEN CO., LTD. (KR) 2005-06-16 — — US disclosed
EP-1362858-A1 Pyrrolopyrimidinone derivates, process of preparation and use SK Chemicals Co., Ltd. (KR) 2003-11-19 — — EP 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-20050130983-A1 Pyrrolopyrimidinone derivatives, process for preparation thereof, and method of using and composition comprising them DHPS, SDHA, FDPS PDE5A 582/4885PDE3B 330/4885PDE3A 479/4885

“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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