Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2579895

CCN(CC)C(C)OC(C)=O.COc1ccc2c(c1)cc(C)n2C(=O)c1ccc(Cl)cc1.Cl

nearest known ligand 0.69

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
▸ PTGS2 known ✓ P35354 9/20 0.49
▸ PTGS1 known ✓ P23219 3/20 0.45
▸ CHRM1 known ✓ P11229 1/20 0.45
▸ PPARG known ✓ P37231 1/20 0.45
▸ HTR2B known ✓ P41595 1/20 0.45
▸ SLC6A3 known ✓ Q01959 1/20 0.45
▸ AKR1C3 P42330 3/20 0.69
▸ AKR1C2 P52895 3/20 0.69
▸ TUBB1 Q9H4B7 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PTGES O14684 1/20 0.45
▸ ABCC3 O15438 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ MT-CO2 P00403 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL3810903 0.99 AKR1C3 (0.70) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL29481380 0.83 AKR1C3 (1.00) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11037919 0.83 AKR1C3 (1.00) AKR1C3AKR1C2TUBB1PTGS2PTGS1
Acetic Acid SCHEMBL11761270 0.82 AKR1C3 (0.93) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11255524 0.81 AKR1C3 (0.74) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11615785 0.80 AKR1C3 (0.73) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11086794 0.80 AKR1C3 (0.76) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11025362 0.79 AKR1C3 (0.68) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL5268342 0.79 AKR1C3 (0.78) AKR1C3AKR1C2TUBB1PTGS2PTGS1
SCHEMBL11262826 0.79 AKR1C3 (0.78) AKR1C3AKR1C2TUBB1PTGS2PTGS1

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-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 — — US disclosed
US-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS PREMIER RESEARCH INTERNATIONAL, LLC 2011-11-03 — — 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 (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-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC19A1, HIRA, SLC43A1 PTGS2 795/4885PTGS1 685/4885CHRM1 4690/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 PTGS2 795/4885PTGS1 685/4885CHRM1 4690/4885

“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.

Send feedback