Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17892909

CC(OC(=O)[C@H](C)N)C(COc1ccccc1)Cc1ccccc1.Cl

nearest known ligand 0.42

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 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG known ✓ P37231 2/20 0.40
▸ PTGS1 known ✓ P23219 2/20 0.39
▸ MAOA known ✓ P21397 1/20 0.39
▸ LMNA P02545 1/20 0.42
▸ LTA4H P09960 3/20 0.42
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ LAP3 P28838 2/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39

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 SCHEMBL17892819 1.00 LMNA (0.42) LMNALTA4HMTNR1AMTNR1BLAP3
Hydrochloric Acid SCHEMBL17892911 1.00 LMNA (0.42) LMNALTA4HMTNR1AMTNR1BLAP3
Hydrochloric Acid SCHEMBL17892908 1.00 LMNA (0.42) LMNALTA4HMTNR1AMTNR1BLAP3
Hydrochloric Acid SCHEMBL28617863 1.00 LMNA (0.42) LMNALTA4HMTNR1AMTNR1BLAP3
Hydrochloric Acid SCHEMBL28617860 1.00 LMNA (0.42) LMNALTA4HMTNR1AMTNR1BLAP3
SCHEMBL17901392 0.99 LMNA (0.43) LMNALTA4HMTNR1AMTNR1BLAP3
SCHEMBL17901642 0.86 ALPI (0.47) LAP3ANPEPPTGS1MAOAMEN1
SCHEMBL17901431 0.83 SLC1A1 (0.46) LTA4HPTGS1MEN1KMT2AALDH1A1
SCHEMBL17901409 0.83 ALPI (0.41) ANPEPPPARGPPARAPTGS1MAOA
SCHEMBL17901648 0.82 ANPEP (0.41) LAP3ANPEPPTGS1MAOAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205386-B Pyridinamides with fungicidal activity 美国陶氏益农公司 2021-07-23 — — CN disclosed
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 — — EP disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 — — US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 — — US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 — — US disclosed
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-12-28 — — US disclosed
EP-3240409-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
EP-3240408-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
WO-2016109301-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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 (5 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 PPARG 2359/4885PTGS1 1540/4885MAOA 986/4885
US-20170369421-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 PPARG 2359/4885PTGS1 1540/4885MAOA 986/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 PPARG 2359/4885PTGS1 1540/4885MAOA 986/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 PPARG 2359/4885PTGS1 1540/4885MAOA 986/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 PPARG 2359/4885PTGS1 1540/4885MAOA 986/4885

“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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