Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1401243

Cl.N[C@@H](/C=C/[C@@H](O)Cc1ccc(F)cc1)CCC(=O)O

nearest known ligand 0.42

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
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
SLC6A3 known ✓ Q01959 1/20 0.39
FFAR1 O14842 1/20 0.42
FOLH1 Q04609 6/20 0.42
MME P08473 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CPA3 P15088 1/20 0.38
TPH1 P17752 1/20 0.38

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 SCHEMBL1401248 1.00 FFAR1 (0.42) FFAR1FOLH1MMETBXA2RPTGER4
SCHEMBL13399409 0.81 FFAR1 (0.45) FFAR1FOLH1MMETBXA2RPTGER4
SCHEMBL10210591 0.81 NPSR1 (0.40) MEN1CYP2C19KMT2A
SCHEMBL11929411 0.79 HPGD (0.38) TBXA2RPTGER4PTGER3PTGER2
SCHEMBL288670 0.77 FFAR1 (0.50) FFAR1FOLH1MMEHTTCPA3
SCHEMBL10268811 0.73 MEN1 (0.33) TBXA2RPTGER4PTGER3PTGER2MEN1
SCHEMBL3251742 0.71 FFAR1 (0.50) FFAR1FOLH1MMEHTTBLM
SCHEMBL29532978 0.70 FOLH1 (0.57) FOLH1MMENAALAD2CPA1
Hydrochloric Acid SCHEMBL28568409 0.69 FFAR1 (0.76) FFAR1HTT
Hydrochloric Acid SCHEMBL29184696 0.69 FFAR1 (0.76) FFAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207223-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
EP-1417975-B1 REMEDIES FOR DISEASES WITH BONE MASS LOSS HAVING EP4 AGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-03-02 EP disclosed
EP-2255829-A2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient Ono Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-01-14 US disclosed
US-7608637-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-01-27 US disclosed
EP-1417975-A1 REMEDIES FOR DISEASES WITH BONE MASS LOSS HAVING EP sb 4 /sb AGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-05-12 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 (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-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 SLC6A2 3692/4885SLC6A4 1931/4885SLC6A3 4223/4885
US-20050020686-A1 Remedies for diseases with bone mass loss having ep4 agonist as the active ingredient PTGER4, PTGER1, PTGER3 SLC6A2 3760/4885SLC6A4 1807/4885SLC6A3 4247/4885
US-20100010222-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 SLC6A2 3692/4885SLC6A4 1931/4885SLC6A3 4223/4885

“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.