Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29409504

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ CYP3A4 P08684 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ TSHR P16473 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ TP53 P04637 1/20 1.00
▸ MAPT P10636 1/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ CYP2D6 P10635 2/20 0.98
▸ CYP2C19 P33261 2/20 0.98
▸ PDK1 Q15118 1/20 0.98
▸ PDK2 Q15119 1/20 0.98
▸ PDK3 Q15120 1/20 0.98
▸ PDK4 Q16654 1/20 0.98
▸ CYP2C9 P11712 1/20 0.98
▸ NPSR1 Q6W5P4 1/20 0.78
▸ KARS1 Q15046 3/20 0.77
▸ TDP1 Q9NUW8 5/20 0.65
▸ LMNA P02545 1/20 0.64
▸ RXRA P19793 1/20 0.62

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
SCHEMBL14029315 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL29380336 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL31682257 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL27863 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL4943352 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL9108470 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL27864 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL17158674 0.99 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL5933820 0.98 CYP3A4 (0.98) CYP3A4MEN1KMT2ATSHRMAPK1
SCHEMBL17453400 0.98 CYP3A4 (0.98) CYP3A4MEN1KMT2ATSHRMAPK1

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
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO claimed
WO-2024254159-A1 COMPOSITIONS AND METHOD FOR DIAGNOSING AND TREATING ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-12 — — WO disclosed
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO disclosed
US-11986489-B2 Method of treating a disease using a glycolytic dependent compound ETHICON, INC. (US) 2024-05-21 — — US disclosed
EP-3334471-B1 IMPROVED CANCER TREATMENT WITH DOXORUBICIN ETHICON INC (US) 2023-06-21 — — EP disclosed
US-20220348876-A1 METABOLISM GUIDES DEFINITIVE LINEAGE SPECIFICATION DURING ENDOTHELIAL TO HEMATOPOIETIC TRANSITION AMNIOTICS AB (SE) 2022-11-03 — — US disclosed
EP-4065694-A1 METABOLISM GUIDES DEFINITIVE LINEAGE SPECIFICATION DURING ENDOTHELIAL TO HEMATOPOIETIC TRANSITION Amniotics AB (SE) 2022-10-05 — — EP disclosed
CN-114981412-A Metabolic guided permanent lineage specification during endothelial cell to hematopoietic cell transition AMNIOTICS公司 2022-08-30 — — CN disclosed
US-20220054527-A1 METHOD OF TREATING A DISEASE USING A GLYCOLYTIC DEPENDENT COMPOUND OMRIX BIOPHARMACEUTICALS LTD. (IL) 2022-02-24 — — US disclosed
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