Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6624057

Cl.O=C(O)/C=C/CN1CCCCC1

nearest known ligand 0.40

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
CHRNB4 known ✓ P30926 1/20 0.38
CHRNA3 known ✓ P32297 1/20 0.38
GAA known ✓ P10253 1/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.36
HSP90AA1 known ✓ P07900 1/20 0.36
ELANE P08246 5/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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 SCHEMBL6624060 1.00 ELANE (0.40) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL24305 0.98 CYP1A2 (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
Hydrochloric Acid SCHEMBL14636142 0.98 BLM (0.39) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL2972244 0.98 CYP1A2 (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL2972245 0.98 CYP1A2 (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL24306 0.98 CYP1A2 (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
Hydrochloric Acid SCHEMBL14636144 0.98 BLM (0.39) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL2977137 0.96 BLM (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
SCHEMBL2977139 0.96 BLM (0.41) ELANECYP1A2MAPK1SMN1; SMN2BLM
Hydrochloric Acid SCHEMBL20981810 0.94 BLM (0.39) ELANEBLMGABRR1GABRR2GABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861120-A Preparation method of dacomitinib 湖南南新制药股份有限公司 2021-12-31 CN claimed
CN-111978212-A Efficient preparation method of lung cancer targeted drug 山东罗欣药业集团股份有限公司 2020-11-24 CN claimed
CN-113768935-B Preventive and/or therapeutic agent for immune disease 大鹏药品工业株式会社 2024-10-01 CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-4268898-A2 KRAS G12C INHIBITORS FOR TREATING CANCER Amgen Inc. (US) 2023-11-01 EP disclosed
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
CN-114409721-A Pentacyclic triterpene derivatives containing electrophilic warheads, and preparation method and application thereof 大连理工大学 2022-04-29 CN disclosed
CN-112707869-B Dacotinib impurity and preparation method thereof 扬子江药业集团有限公司 2022-03-22 CN disclosed
US-6177425-B1 STEREOSPECIFIC ENANTIOMER HAVING ANTIINFLAMMATORY AND NEUTROPHIL ELASTASE INHIBITING ACTIVITY; FOR TREATMENT OF CHRONIC BRONCHITIS IN HUMANS OR ANIMALS GLAXO WELLCOME INC. 2001-01-23 US disclosed
EP-1015455-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
EP-1015456-A1 PYRROLOPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
US-6057457-A ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS GLAXO WELLCOME INC. (US) 2000-05-02 US disclosed
US-5994344-A BRONCHITIS THERAPY GLAXO WELLCOME INC. (US) 1999-11-30 US disclosed
WO-1999012935-A1 PYRROLOPYRROLIDINE DERIVATIVES AND THEIR USE AS SERINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1999012934-A1 PYRROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 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-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRNB4 4861/4885CHRNA3 4866/4885GAA 1367/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CHRNB4 4861/4885CHRNA3 4866/4885GAA 1367/4885

“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.