Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1774847

Cl.O=[N+]([O-])c1ccc(-[n+]2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])c1.[Cl-]

nearest known ligand 0.56

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
GAA known ✓ P10253 1/20 0.42
PDE4B known ✓ Q07343 1/20 0.41
PDE4D known ✓ Q08499 1/20 0.41
PDE7A known ✓ Q13946 1/20 0.41
PDE7B known ✓ Q9NP56 1/20 0.41
CYP19A1 known ✓ P11511 1/20 0.38
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
ATM Q13315 1/20 0.56
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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 SCHEMBL30611013 1.00 NPC1 (0.56) NPC1RAB9AATMTXNRD1TXNRD3
SCHEMBL10439894 0.99 NPC1 (0.58) NPC1RAB9AATMTXNRD1TXNRD3
Hydrochloric Acid SCHEMBL11217818 0.99 NPC1 (0.58) NPC1RAB9AATMTXNRD1TXNRD3
SCHEMBL29595963 0.99 NPC1 (0.58) NPC1RAB9AATMTXNRD1TXNRD3
Bromide SCHEMBL28656768 0.96 NPC1 (0.55) NPC1RAB9AATMTXNRD1TXNRD3
Hydrochloric Acid SCHEMBL599994 0.91 NPC1 (0.65) NPC1RAB9AATMTXNRD1TXNRD3
Hydrochloric Acid SCHEMBL30343291 0.91 NPC1 (0.65) NPC1RAB9AATMTXNRD1TXNRD3
SCHEMBL11694301 0.90 NPC1 (0.62) NPC1RAB9AATMTXNRD1TXNRD3
Bromide SCHEMBL5144105 0.88 NPC1 (0.61) NPC1RAB9AATMTXNRD1TXNRD3
Hydrochloric Acid SCHEMBL8068701 0.86 NPC1 (0.67) NPC1RAB9AATMTXNRD1TXNRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946660-A Freezing history indicator and application thereof 吉林大学 2024-04-30 CN claimed
CN-117946660-A Freezing history indicator and application thereof 吉林大学 2024-04-30 CN disclosed
EP-4321235-A1 CARBON DIOXIDE CAPTURE SYSTEM AND CARBON DIOXIDE CAPTURE METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2024-02-14 EP disclosed
US-20240042380-A1 CARBON DIOXIDE CAPTURE SYSTEM AND CARBON DIOXIDE CAPTURE METHOD KABUSHIKI KAISHA TOSHIBA (JP) 2024-02-08 US disclosed
EP-2848667-B1 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INT (FR) 2019-04-10 EP disclosed
US-9823534-B2 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-11-21 US disclosed
US-20160231635-A1 ELECTROCHROMIC SINGLE AND TWO-CORE VIOLOGENS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 US disclosed
WO-2015040033-A2 ELECTROCHROMIC SINGLE AND TWO-CORE VIOLOGENS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-03-26 WO disclosed
EP-2848667-A1 Electrochromic single and two-core viologens and optical articles containing them ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2015-03-18 EP disclosed
US-8279513-B2 Electrochromic materials and electrochromic devices using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-02 US disclosed
US-20110184181-A1 ELECTROCHROMIC MATERIALS AND ELECTROCHROMIC DEVICES USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-07-28 US disclosed
US-7944597-B2 Electrochromic materials and electrochromic devices using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-17 US disclosed
US-20100053724-A1 ELECTROCHROMIC MATERIALS AND ELECTROCHROMIC DEVICES USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-03-04 US disclosed
US-20090259042-A1 ELECTROCHROMIC COMPOUNDS NTERA LIMITED (IE) 2009-10-15 US disclosed
US-7567371-B2 Electrochromic compounds NTERA LIMITED (IE) 2009-07-28 US disclosed
US-20060110638-A1 Electrochromic compounds NTERA LIMITED (IE) 2006-05-25 US disclosed
EP-1594938-A1 ELECTROCHROMIC COMPOUNDS Ntera Limited (IE) 2005-11-16 EP disclosed
WO-2004067673-A1 ELECTROCHROMIC COMPOUNDS NTERA LIMITED (IE) 2004-08-12 WO disclosed
EP-1443091-A1 Electrochromic compounds Ntera Limited (IE) 2004-08-04 EP 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-20090259042-A1 ELECTROCHROMIC COMPOUNDS ETV6, HCN2, EED GAA 3729/4885PDE4B 3549/4885PDE4D 4137/4885
US-20060110638-A1 Electrochromic compounds ETV6, HCN2, EED GAA 3729/4885PDE4B 3549/4885PDE4D 4137/4885
US-20110184181-A1 ELECTROCHROMIC MATERIALS AND ELECTROCHROMIC DEVICES USING THE SAME ESYT2, EED, EYA2 GAA 4109/4885PDE4B 2431/4885PDE4D 2134/4885
US-20160231635-A1 ELECTROCHROMIC SINGLE AND TWO-CORE VIOLOGENS AND OPTICAL ARTICLES CONTAINING THEM EYA2, CRY2, EYA3 GAA 4558/4885PDE4B 4514/4885PDE4D 4223/4885
US-20100053724-A1 ELECTROCHROMIC MATERIALS AND ELECTROCHROMIC DEVICES USING THE SAME ESYT2, EED, EYA2 GAA 4109/4885PDE4B 2431/4885PDE4D 2134/4885

“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.