Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4050779

C=CCc1cccc(N)c1CC=C.Cl

nearest known ligand 0.46

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
GABRA1 known ✓ P14867 2/20 0.46
GABRB2 known ✓ P47870 2/20 0.46
IMPDH2 known ✓ P12268 1/20 0.40
HDAC3 known ✓ O15379 1/20 0.33
HDAC1 known ✓ Q13547 1/20 0.33
GAA known ✓ P10253 1/20 0.33
AKR1B1 P15121 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL1570705 0.98 GABRA1 (0.47) GABRA1GABRB2IMPDH2AKR1B1MEN1
Ethylene SCHEMBL27977914 0.96 GABRA1 (0.46) GABRA1GABRB2IMPDH2AKR1B1MEN1
SCHEMBL28064073 0.91 GABRA1 (0.42) GABRA1GABRB2IMPDH2AKR1B1MEN1
SCHEMBL5915091 0.88 GABRA1 (0.46) GABRA1GABRB2IMPDH2AKR1B1MEN1
SCHEMBL10709835 0.85 IMPDH2 (0.46) GABRA1GABRB2IMPDH2MEN1KMT2A
SCHEMBL18136 0.83 GABRA1 (0.56) GABRA1GABRB2AKR1B1MEN1KMT2A
SCHEMBL1646866 0.82 GABRA1 (0.49) GABRA1GABRB2IMPDH2AKR1B1MEN1
Hydrochloric Acid SCHEMBL27937327 0.81 GABRA1 (0.45) GABRA1GABRB2AKR1B1HDAC3HDAC1
Hydrochloric Acid SCHEMBL5940132 0.81 GABRA1 (0.45) GABRA1GABRB2AKR1B1HDAC3HDAC1
SCHEMBL11871141 0.80 GABRA1 (0.40) GABRA1GABRB2IMPDH2AKR1B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406761-B1 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEM PATENTS INC (US) 2016-11-02 EP disclosed
US-7511104-B2 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-03-31 US disclosed
US-20050123778-A1 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. 2005-06-09 US disclosed
US-6809209-B2 Nitrogen-containing group-13 anionic compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-26 US disclosed
EP-1268575-B1 NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2004-06-09 EP disclosed
EP-1406761-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2004-04-14 EP disclosed
US-20030083515-A1 Nitrogen-containing group-13 anionic compounds for olefin polymerization RODRIGUEZ GEORGE (US) 2003-05-01 US disclosed
WO-2003000740-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-03 WO disclosed
EP-1268575-A2 NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-01-02 EP disclosed
WO-2001081435-A2 NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2001-11-01 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 (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-20030083515-A1 Nitrogen-containing group-13 anionic compounds for olefin polymerization SFN, SLC7A5, NOTUM GABRA1 4464/4885GABRB2 4640/4885IMPDH2 4404/4885

“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.