Hydrochloric Acid

Hydrochloric Acid

SCHEMBL846544

Cl.O=C(O)c1cnc2c(c1)CCC2

nearest known ligand 0.50

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
ADRA2A known ✓ P08913 2/20 0.45
ADRA2B known ✓ P18089 2/20 0.45
ADRA2C known ✓ P18825 2/20 0.45
GABRP known ✓ O00591 1/20 0.35
GABRD known ✓ O14764 1/20 0.35
GABRA1 known ✓ P14867 1/20 0.35
GABRB1 known ✓ P18505 1/20 0.35
GABRG2 known ✓ P18507 1/20 0.35
GABRB3 known ✓ P28472 1/20 0.35
GABRA5 known ✓ P31644 1/20 0.35
GABRA3 known ✓ P34903 1/20 0.35
GABRA2 known ✓ P47869 1/20 0.35
GABRB2 known ✓ P47870 1/20 0.35
GABRA4 known ✓ P48169 1/20 0.35
GABRE known ✓ P78334 1/20 0.35
GABRA6 known ✓ Q16445 1/20 0.35
GABRG1 known ✓ Q8N1C3 1/20 0.35
GABRG3 known ✓ Q99928 1/20 0.35
GABRQ known ✓ Q9UN88 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL2729684 0.98 ALDH1A1 (0.52) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL29377632 0.98 ALDH1A1 (0.52) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL3805068 0.95 ALDH1A1 (0.47) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL26607684 0.82 NNMT (0.58) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL17675163 0.79 NNMT (0.58) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL29618311 0.78 SPR (0.45) ALDH1A1ADRA2AADRA2BADRA2CNNMT
SCHEMBL28758468 0.76 HTT (0.46) ALDH1A1RAB9AMEN1LMNAKMT2A
SCHEMBL30634351 0.75 POLB (0.40) ALDH1A1KDM4EMGAMP4HA1P4HTM
SCHEMBL16415942 0.75 POLB (0.40) ALDH1A1KDM4EMGAMP4HA1P4HTM
SCHEMBL5054886 0.75 KDM4E (0.45) ALDH1A1ADRA2AADRA2BADRA2CNNMT

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
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
EP-3378860-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2018-09-26 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
EP-2474544-B1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-12 EP disclosed
EP-2474543-B1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-05-03 EP disclosed
US-9249135-B2 Therapeutic agent for mood disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-02 US disclosed
US-20150225417-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2015-08-13 US disclosed
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO., LTD. (JP) 2015-03-19 US disclosed
US-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-19 US disclosed
EP-2474544-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP disclosed
EP-2474543-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
CN-102482271-A Therapeutic agent for anxiety disorder KYOWA HAKKO KIRIN CO LTD 2012-05-30 CN disclosed
CN-102482272-A Therapeutic agent for mood disorders KYOWA HAKKO KIRIN CO LTD 2012-05-30 CN disclosed
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-04-26 US disclosed
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 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 (8 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-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS TPH1, HDAC1, HDAC2 ADRA2A 450/4885ADRA2B 858/4885ADRA2C 723/4885
US-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 ADRA2A 483/4885ADRA2B 719/4885ADRA2C 750/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 ADRA2A 483/4885ADRA2B 719/4885ADRA2C 750/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADRA2A 48/4885ADRA2B 128/4885ADRA2C 95/4885
US-20120101101-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 ADRA2A 483/4885ADRA2B 719/4885ADRA2C 750/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADRA2A 48/4885ADRA2B 128/4885ADRA2C 95/4885
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADRA2A 48/4885ADRA2B 128/4885ADRA2C 95/4885
US-20150225417-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 ADRA2A 483/4885ADRA2B 719/4885ADRA2C 750/4885

“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.