Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2232342

C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN3CCN(C)CC3)[C@H](OC(C)=O)[C@@]2(C)O1.Cl

nearest known ligand 0.74

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
▸ ADRA1A known ✓ P35348 2/20 0.74
▸ KCNH2 known ✓ Q12809 1/20 0.74
▸ CHRM2 known ✓ P08172 1/20 0.67
▸ HTR1A known ✓ P08908 1/20 0.67
▸ ADRA2A known ✓ P08913 1/20 0.67
▸ HTR2A known ✓ P28223 1/20 0.67
▸ SCN1A known ✓ P35498 1/20 0.67
▸ SCN2A known ✓ Q99250 1/20 0.67
▸ SCN3A known ✓ Q9NY46 1/20 0.67
▸ MAPK1 P28482 5/20 0.74
▸ CYP3A4 P08684 4/20 0.74
▸ TSHR P16473 3/20 0.74
▸ NR1I2 O75469 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ MLNR O43193 1/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ ALDH1A1 P00352 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ ADCY1 Q08828 12/20 0.70

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
SCHEMBL8419455 0.99 MAPK1 (0.75) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL8420765 0.93 MAPK1 (0.76) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL8420725 0.93 MAPK1 (0.76) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL15667799 0.93 ADCY1 (0.78) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL9584181 0.93 ADCY1 (0.78) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7326897 0.91 MAPK1 (0.64) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7296304 0.91 MAPK1 (0.64) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL7297358 0.90 MAPK1 (0.62) MAPK1CYP3A4TSHRNR1I2ADRA1A
SCHEMBL16181423 0.88 MAPK1 (0.83) MAPK1CYP3A4TSHRNR1I2ADRA1A
Hydrochloric Acid SCHEMBL10696571 0.87 ADCY1 (0.75) MAPK1CYP3A4TSHRNR1I2ADRA1A

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
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 — — US disclosed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 — — US disclosed
EP-0468445-B1 Process for preparation of 6-(substituted-aminopropionyl)-derivates of forskolin HOECHST AG (DE) 1996-01-10 — — 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 (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-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ADRA1A 360/4885KCNH2 4791/4885CHRM2 3642/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ADRA1A 360/4885KCNH2 4791/4885CHRM2 3642/4885

“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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