Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29628052

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CN.Cl

nearest known ligand 0.64

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 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 known ✓ P41145 1/20 0.58
▸ GLA known ✓ P06280 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ ATM Q13315 2/20 0.58
▸ POLB P06746 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ANPEP P15144 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL29484060 0.99 ALDH1A1 (0.65) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Trifluoroacetic Acid SCHEMBL29484051 0.92 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Hydrochloric Acid SCHEMBL29661828 0.92 OPRK1 (0.67) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL30581396 0.90 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL28231245 0.90 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL30581395 0.90 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
SCHEMBL7139809 0.90 OPRK1 (0.69) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Bromide SCHEMBL11571243 0.89 OPRK1 (0.67) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Aspartame SCHEMBL8761786 0.88 ALDH1A1 (0.62) ALDH1A1CYP2C9CYP2C19THRBHSD17B10
Aspartame SCHEMBL5499340 0.88 ALDH1A1 (0.62) ALDH1A1CYP2C9CYP2C19THRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064964-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2025-02-27 — — US disclosed
US-12171839-B2 Antibody drug conjugates for ablating hematopoietic stem cells NOVARTIS AG (CH) 2024-12-24 — — US disclosed
CN-117653740-A Antibody drug conjugates for ablating hematopoietic stem cells 诺华股份有限公司 2024-03-08 — — CN disclosed
CN-110099697-B Antibody drug conjugates for ablating hematopoietic stem cells 诺华股份有限公司 2023-11-28 — — CN disclosed
US-20220305134-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2022-09-29 — — US disclosed
US-11357864-B2 Antibody drug conjugates for ablating hematopoietic stem cells NOVARTIS AG (CH) 2022-06-14 — — 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 (4 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-20250064964-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS ABL1, BCR, CD47 OPRK1 3498/4885GLA 3165/4885ALDH1A1 205/4885
US-20220305134-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS BCR, ABL1, CD47 OPRK1 3703/4885GLA 3102/4885ALDH1A1 167/4885
US-11357864-B2 Antibody drug conjugates for ablating hematopoietic stem cells BCR, ABL1, CD47 OPRK1 3703/4885GLA 3102/4885ALDH1A1 167/4885
US-12171839-B2 Antibody drug conjugates for ablating hematopoietic stem cells BCR, ABL1, CD47 OPRK1 3703/4885GLA 3102/4885ALDH1A1 167/4885

“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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