Hydrochloric Acid

Hydrochloric Acid

SCHEMBL147764

CC(C(=O)O)c1ccc(C(=O)C2CCC(CN)CC2)cc1.Cl

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
PTGS1 known ✓ P23219 12/20 0.42
PTGS2 known ✓ P35354 12/20 0.42
ESR1 known ✓ P03372 1/20 0.41
ADRB3 known ✓ P13945 1/20 0.41
HTR2A known ✓ P28223 1/20 0.41
OPRK1 known ✓ P41145 1/20 0.40
HRH2 known ✓ P25021 2/20 0.38
HRH1 known ✓ P35367 2/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.38
LMNA P02545 3/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
MT-CO1 P00395 1/20 0.42
MT-CO2 P00403 1/20 0.42
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ALOX5 P09917 1/20 0.41

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 SCHEMBL147763 1.00 LMNA (0.42) LMNAPLGPLATPTGS1PTGS2
SCHEMBL10616425 0.99 LMNA (0.44) LMNAPLGPLATPTGS1PTGS2
SCHEMBL10616410 0.99 LMNA (0.44) LMNAPLGPLATPTGS1PTGS2
SCHEMBL3672984 0.87 PTGS2 (0.50) LMNAPTGS1PTGS2MT-CO1MT-CO2
SCHEMBL11134459 0.84 NPC1 (0.43) LMNAPLGPLATPTGS1PTGS2
SCHEMBL11134455 0.84 NPC1 (0.43) LMNAPLGPLATPTGS1PTGS2
SCHEMBL21402749 0.83 HRH2 (0.40) LMNAPLGPLATKMT2AHRH2
SCHEMBL28523814 0.83 PLG (0.40) LMNAPLGPLATSRD5A2HRH2
SCHEMBL28511028 0.83 FFAR1 (0.43) LMNAPLGPLATSRD5A2HRH2
SCHEMBL21402760 0.82 PLG (0.40) LMNAPLGPLATKMT2ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794192-B1 PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS MADE THEREFROM SEIKAGAKU KOGYO CO LTD (JP) 2016-05-04 EP disclosed
US-8389713-B2 Polysaccharide pseudo-sponge SEIKAGAKU CORPORATION (JP) 2013-03-05 US disclosed
US-8222399-B2 Photoreactive polysaccharide, photocrosslinked polysaccharide product and method of making same and medical materials made from the crosslinked polysaccharide SEIKAGAKU CORPORATION (JP) 2012-07-17 US disclosed
US-20120055780-A1 POLYSACCHARIDE PSEUDO-SPONGE SEIKAGAKU CORPORATION (JP) 2012-03-08 US disclosed
US-8071756-B2 Polysaccharide pseudo-sponge SEIKAGAKU CORPORATION (JP) 2011-12-06 US disclosed
EP-2287205-A2 Photoreactive polysaccharide. photocrosslinked polysaccharide products, the method of making them and medical materials made therefrom SEIKAGAKU CORPORATION (JP) 2011-02-23 EP disclosed
EP-1794192-A1 PHOTOREACTIVE POLYSACCHARIDE. PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS MADE THEREFROM SEIKAGAKU CORPORATION (JP) 2007-06-13 EP disclosed
US-20070009579-A1 Polysaccharide pseudo-sponge SEIKAGAKU COROPRATION (JP) 2007-01-11 US disclosed
WO-2006030965-A1 PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCTS, THE METHOD OF MAKING THEM AND MEDICAL MATERIALS THEREFROM SEIKAGAKU CORPORATION (JP) 2006-03-23 WO disclosed
US-20060057098-A1 PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCT AND METHOD OF MAKING SAME AND MEDICAL MATERIALS MADE FROM THE CROSSLINKED POLYSACCHARIDE SEIKAGAKU CORPORATION (JP) 2006-03-16 US disclosed
US-5462976-A Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-10-31 US disclosed
EP-0187703-B1 SUSTAINED RELEASE PREPARATION TEIJIN LIMITED (JP) 1992-08-05 EP disclosed
EP-0207638-B1 SUSTAINED-RELEASE PHARMACEUTICAL PREPARATION TEIJIN LIMITED (JP) 1990-12-19 EP disclosed
US-4814176-A CHITIN OR CHITOSAN, ANIONIC POLYMER, DRUG TEIJIN LTD. (JP) 1989-03-21 US disclosed
US-4755544-A Sustained release preparation TEIJIN LIMITED (JP) 1988-07-05 US disclosed
EP-0207638-A2 Sustained-release pharmaceutical preparation TEIJIN LIMITED (JP) 1987-01-07 EP disclosed
EP-0187703-A2 Sustained release preparation TEIJIN LIMITED (JP) 1986-07-16 EP disclosed
EP-0044541-B1 AMINOCARBOXYLIC ACIDS, AMINO ALCOHOLS, OR THE DERIVATIVES THEREOF, PROCESSES FOR PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION, CONTAINING AT LEAST ONE OF THESE COMPOUNDS TEIJIN LIMITED (JP) 1983-09-21 EP disclosed
US-4402975-A ANTIULCER AGENTS TEIJIN LIMITED (JP) 1983-09-06 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-20070009579-A1 Polysaccharide pseudo-sponge CD44, SI, ALG1 PTGS1 301/4885PTGS2 359/4885ESR1 4368/4885
US-20060057098-A1 PHOTOREACTIVE POLYSACCHARIDE, PHOTOCROSSLINKED POLYSACCHARIDE PRODUCT AND METHOD OF MAKING SAME AND MEDICAL MATERIALS MADE FROM THE CROSSLINKED POLYSACCHARIDE ALG1, ALG8, CSGALNACT1 PTGS1 498/4885PTGS2 555/4885ESR1 3784/4885

“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.