Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16635699

Cl.N[C@@H]1C=Cc2ccccc2[C@H]1O

nearest known ligand 0.39

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 12)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.39
HTR6 known ✓ P50406 1/20 0.39
GAA known ✓ P10253 1/20 0.30
CYP2D6 P10635 1/20 0.38
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 1/20 0.30

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 SCHEMBL16635702 1.00 HTR2A (0.39) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL28520674 0.77 HTR2A (0.43) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL28516494 0.77 HTR2A (0.43) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL28259943 0.77 HTR2A (0.43) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL28506975 0.77 HTR2A (0.43) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL639420 0.77 CYP2D6 (0.41) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL14956869 0.77 CYP2D6 (0.41) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL30138865 0.77 CYP2D6 (0.41) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL29741301 0.77 CYP2D6 (0.41) HTR2AHTR6CYP2D6BRD4CCL2
SCHEMBL2930945 0.77 CYP2D6 (0.41) HTR2AHTR6CYP2D6BRD4CCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-04-30 US disclosed
CN-110407898-B Amphotericin B derivatives with improved therapeutic index 伊利诺伊大学评议会 2023-12-01 CN disclosed
US-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2022-02-24 US disclosed
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-14 US disclosed
US-11028114-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-06-08 US disclosed
US-20190345187-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-11-14 US disclosed
US-10323057-B2 Amphotericin B derivatives with improved therapeutic index THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-06-18 US disclosed
US-20180273571-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2018-09-27 US disclosed
EP-3055030-B1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX UNIV ILLINOIS (US) 2018-05-02 EP disclosed
EP-3242554-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B The Board of Trustees of the University of Illionis (US) 2017-11-15 EP disclosed
EP-3055030-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX The Board of Trustees of the University of Illinois (US) 2016-08-17 EP disclosed
US-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) 2016-07-28 US disclosed
WO-2016112260-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-14 WO disclosed
WO-2016112243-A1 UREA DERIVATIVES OF AMPHOTERICIN B DERIVED FROM SECONDARY AMINES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-14 WO disclosed
WO-2016040779-A1 UREA DERIVATIVES OF POLYENE MACROLIDE ANTIBIOTICS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-03-17 WO disclosed
WO-2015054148-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO 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 (8 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-20220056066-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-20160215012-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-20180273571-A1 CONCISE SYNTHESIS OF UREA DERIVATIVES OF AMPHOTERICIN B NAT10, CPS1, ERG28 HTR2A 4454/4885HTR6 4177/4885GAA 733/4885
US-20190345187-A1 AMPHOTERICIN B DERIVATIVES WITH IMPROVED THERAPEUTIC INDEX C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-10323057-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-11028114-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-11117920-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885
US-11970512-B2 Amphotericin B derivatives with improved therapeutic index C9, AMPD3, C5 HTR2A 3415/4885HTR6 2909/4885GAA 1226/4885

“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.