Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2688906

CCCCCCCC1CCCC(C)N1.Cl

nearest known ligand 0.54

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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 15)

geneUniProtsupporting neighboursconfidence
S1PR2 known ✓ O95136 2/20 0.54
S1PR4 known ✓ O95977 2/20 0.54
S1PR1 known ✓ P21453 2/20 0.54
S1PR3 known ✓ Q99500 2/20 0.54
S1PR5 known ✓ Q9H228 2/20 0.54
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.37
FUCA1 P04066 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GBA1 P04062 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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 SCHEMBL2688539 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2687718 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2688543 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2688542 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2688907 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2687713 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2688901 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2687716 1.00 S1PR2 (0.54) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3214782 0.98 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3220475 0.98 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168657-B2 administering a solenopsin derivative such as 2-methyl-6-(2-phenylethyl)piperidine or other piperidine derivatives to treat a tumor or cancer in a patient BOWEN J PHILLIP (US) 2012-05-01 US disclosed
US-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors BOWEN J PHILLIP (US) 2005-02-17 US disclosed
WO-2003061598-A2 SOLENOPSIN A, B AND ANALOGS AS NOVEL ANGIOGENESIS INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2003-07-31 WO disclosed
US-6369078-B1 Solenopsin derivatives and analogues as fire ant suppressants BOWEN J PHILLIP (US) 2002-04-09 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 (1 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-20050038071-A1 Solenopsin a, b and analogs and as novel angiogenesis inhibitors VEGFA, TEK, FLT1 S1PR2 464/4885S1PR4 663/4885S1PR1 322/4885

“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.