Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584649

CC(=CCNc1ncnc2nc[nH]c12)CO.Cl

nearest known ligand 0.97

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
▸ HDAC1 known ✓ Q13547 1/20 0.44
▸ HDAC2 known ✓ Q92769 1/20 0.44
▸ TSHR P16473 5/20 0.97
▸ RECQL P46063 2/20 0.97
▸ CYP1A2 P05177 4/20 0.76
▸ CDK2 P24941 2/20 0.76
▸ CYP3A4 P08684 2/20 0.58
▸ HTT P42858 4/20 0.55
▸ HIF1A Q16665 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ LMNA P02545 4/20 0.51
▸ PRMT1 Q99873 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ BRAF P15056 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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 SCHEMBL27865862 1.00 TSHR (0.97) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL29412055 0.99 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL1944933 0.99 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL29350488 0.99 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL49690 0.99 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL25176316 0.99 TSHR (1.00) TSHRRECQLCYP1A2CDK2CYP3A4
Alcohol SCHEMBL28719125 0.96 TSHR (0.95) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL30320043 0.93 TSHR (0.88) TSHRRECQLCYP1A2CDK2CYP3A4
Phosphoric Acid SCHEMBL3301229 0.93 TSHR (0.88) TSHRRECQLCYP1A2CDK2CYP3A4
SCHEMBL30320048 0.93 TSHR (0.88) TSHRRECQLCYP1A2CDK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 — — US claimed
EP-2416653-A2 PLANT GROWTH REGULATOR ADDITIVE Taminco, Naamloze Vennootschap (BE) 2012-02-15 — — EP claimed
WO-2010116259-A2 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2010-10-14 — — WO claimed
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-03 — — US disclosed
US-20120088667-A1 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-04-12 — — US disclosed
EP-2416647-A2 SAFENING AGENT Taminco, Naamloze Vennootschap (BE) 2012-02-15 — — EP disclosed
EP-2416653-A2 PLANT GROWTH REGULATOR ADDITIVE Taminco, Naamloze Vennootschap (BE) 2012-02-15 — — EP disclosed
WO-2010116259-A2 PLANT GROWTH REGULATOR ADDITIVE TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2010-10-14 — — WO disclosed
WO-2010116264-A2 SAFENING AGENT TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2010-10-14 — — 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 (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-20120088667-A1 SAFENING AGENT PIN1, IPO11, XPO1 HDAC1 4346/4885HDAC2 3984/4885TSHR 2533/4885
US-20120108431-A1 PLANT GROWTH REGULATOR ADDITIVE MYB, ING2, AGXT HDAC1 1065/4885HDAC2 1211/4885TSHR 645/4885

“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.

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