Hydrochloric Acid

Hydrochloric Acid

SCHEMBL720229

C=C(C)C(=O)NCCC(C)N.Cl

nearest known ligand 0.43

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
GABRP known ✓ O00591 2/20 0.38
GABRD known ✓ O14764 2/20 0.38
GABRA1 known ✓ P14867 2/20 0.38
GABRB1 known ✓ P18505 2/20 0.38
GABRG2 known ✓ P18507 2/20 0.38
GABRB3 known ✓ P28472 2/20 0.38
GABRA5 known ✓ P31644 2/20 0.38
GABRA3 known ✓ P34903 2/20 0.38
GABRA2 known ✓ P47869 2/20 0.38
GABRB2 known ✓ P47870 2/20 0.38
GABRA4 known ✓ P48169 2/20 0.38
GABRE known ✓ P78334 2/20 0.38
GABRA6 known ✓ Q16445 2/20 0.38
GABRG1 known ✓ Q8N1C3 2/20 0.38
GABRG3 known ✓ Q99928 2/20 0.38
GABRQ known ✓ Q9UN88 2/20 0.38
GAA known ✓ P10253 1/20 0.34
CHRNB4 known ✓ P30926 1/20 0.32
ANPEP P15144 4/20 0.43
RNPEP Q9H4A4 3/20 0.43

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
SCHEMBL5722555 0.98 ANPEP (0.44) ANPEPRNPEPDNPEPGABRPGABRD
SCHEMBL7129431 0.84 ANPEP (0.42) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL23953116 0.84 GNAI3 (0.43) ANPEPRNPEPDNPEPGABRPGABRD
SCHEMBL3235398 0.82 ANPEP (0.52) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
Hydrochloric Acid SCHEMBL452931 0.80 TGFBR1 (0.37) ANPEPRNPEPDNPEPGABRPGABRD
SCHEMBL157717 0.80 ALDH1A1 (0.45) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL20264756 0.79 ANPEP (0.39) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL10187386 0.79 NOS2 (0.43) ANPEPRNPEPDNPEPTGFBR1TSHR
SCHEMBL3201604 0.78 ANPEP (0.38) ANPEPRNPEPDNPEPTGFBR1SMN1; SMN2
SCHEMBL54007 0.78 TGFBR1 (0.38) ANPEPRNPEPDNPEPGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519270-B1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES SURMODICS INC (US) 2017-02-15 EP disclosed
US-8475843-B2 Silyl ether-modified hydrophilic polymers and uses for medical articles SURMODICS, INC. (US) 2013-07-02 US disclosed
EP-2519270-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES SurModics, Inc. (US) 2012-11-07 EP disclosed
US-20120052123-A9 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES Surmodics Coatings, LLC 2012-03-01 US disclosed
WO-2011082296-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES SURMODICS, INC. (US) 2011-07-07 WO disclosed
US-20110159101-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES BANK OF MONTREAL, AS COLLATERAL AGENT 2011-06-30 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-20120052123-A9 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES CD44, SELE, ILK GABRP 2554/4885GABRD 4269/4885GABRA1 3765/4885
US-20110159101-A1 SILYL ETHER-MODIFIED HYDROPHILIC POLYMERS AND USES FOR MEDICAL ARTICLES CD44, SELE, ILK GABRP 2554/4885GABRD 4269/4885GABRA1 3765/4885

“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.