Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2646490

Cl.NNc1nnc(Cl)c2ccccc12

nearest known ligand 0.96

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
MAOA known ✓ P21397 2/20 0.72
PTGS1 known ✓ P23219 2/20 0.72
OPRM1 known ✓ P35372 1/20 0.72
KCNH2 known ✓ Q12809 1/20 0.72
GOT1 P17174 3/20 0.96
MAPT P10636 9/20 0.72
ALDH1A1 P00352 7/20 0.72
TDP1 Q9NUW8 2/20 0.72
ADORA3 P0DMS8 1/20 0.72
SMN1; SMN2 Q16637 7/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 5/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50

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
SCHEMBL496520 0.98 GOT1 (1.00) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL31146711 0.98 GOT1 (1.00) GOT1MAPTALDH1A1TDP1MAOA
Dihydralazine SCHEMBL3462832 0.85 ALDH1A1 (0.90) GOT1MAPTALDH1A1TDP1MAOA
Dihydralazine SCHEMBL149629 0.85 ALDH1A1 (1.00) GOT1MAPTALDH1A1TDP1MAOA
Dihydralazine SCHEMBL29484435 0.85 ALDH1A1 (1.00) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL10876406 0.85 GOT1 (0.75) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL18454567 0.78 GOT1 (0.66) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL345211 0.78 GOT1 (0.62) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL29365992 0.78 GOT1 (0.62) GOT1MAPTALDH1A1TDP1MAOA
SCHEMBL26667326 0.76 GOT1 (0.62) GOT1MAPTALDH1A1TDP1MAOA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119233820-A Azo compounds for the treatment of fibrotic diseases 乔治-奥古斯特-哥廷根公法基金会大学的大学医学院 2024-12-31 CN disclosed
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-6958334-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2005-10-25 US disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040122012-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2004-06-24 US disclosed
US-20040106540-A1 Method of treating cancer BARNETT STANLEY F (US) 2004-06-03 US disclosed
EP-1379250-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2004-01-14 EP disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2002083064-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2002-10-24 WO disclosed
WO-2002083140-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2002-10-24 WO disclosed
US-6313125-B1 FOR ENHANCING COGNITION IN PATIENTS SUFFERING FROM ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. (GB) 2001-11-06 US disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-1000061-A1 THERAPEUTICALLY ACTIVE 1,2,4-TRIAZOLO(4,3-B) PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-05-17 EP disclosed
EP-0915875-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1999-05-19 EP disclosed
WO-1999006407-A1 THERAPEUTICALLY ACTIVE 1,2,4-TRIAZOLO(4.,3-b) PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-02-11 WO disclosed
WO-1998004559-A2 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1998-02-05 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 (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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 MAOA 2011/4885PTGS1 1937/4885OPRM1 111/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 MAOA 3649/4885PTGS1 3864/4885OPRM1 3931/4885
US-20040122012-A1 Inhibitors of akt activity PIK3CD, AKT2, PIK3CA MAOA 2639/4885PTGS1 2813/4885OPRM1 4595/4885
US-20040106540-A1 Method of treating cancer PACSIN2, CTTN, PLK1 MAOA 3499/4885PTGS1 3799/4885OPRM1 3810/4885

“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.