Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5848587

Cl.N=C1CCC(c2ccccc2)S1

nearest known ligand 0.36

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
MAOB known ✓ P27338 2/20 0.34
MAOA known ✓ P21397 1/20 0.34
SIGMAR1 known ✓ Q99720 1/20 0.33
SCN1A known ✓ P35498 1/20 0.33
SCN2A known ✓ Q99250 1/20 0.33
SCN3A known ✓ Q9NY46 1/20 0.33
DDB1 known ✓ Q16531 1/20 0.32
CRBN known ✓ Q96SW2 1/20 0.32
GAA known ✓ P10253 1/20 0.32
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 1/20 0.34
KDM1B Q8NB78 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NOS1 P29475 1/20 0.33

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
SCHEMBL6414384 0.98 TSHR (0.36) TSHRALDH1A1SMN1; SMN2HSD17B10MAOB
SCHEMBL44650 0.73 SIGMAR1 (0.44) TSHRALDH1A1SMN1; SMN2HSD17B10MAOB
SCHEMBL20601589 0.72 SLC18A3 (0.41) TSHRHSD17B10MAOBKDM1AMAOA
Hydrochloric Acid SCHEMBL8983182 0.66 BLM (0.47) TSHRALDH1A1SMN1; SMN2HSD17B10MAOB
SCHEMBL15570404 0.66 BRD4 (0.46) TSHRHSD17B10MAOBKDM1AMAOA
SCHEMBL9872211 0.65 ALDH1A1 (0.38) TSHRALDH1A1SMN1; SMN2HSD17B10MAOB
SCHEMBL10109189 0.65 SLC18A3 (0.35) TSHRMAOBKDM1AMAOASLC18A3
SCHEMBL383636 0.64
SCHEMBL28529394 0.64
SCHEMBL2403745 0.64 GAA (0.38) TSHRALDH1A1SMN1; SMN2HSD17B10MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050191261-A1 Process for strengthening hair and improving the compatibility of a treatment for waving the hair with another subsequent cosmetic treatment comprising applying derivatives of 2-iminothiolane L'OREAL S.A. (FR) 2005-09-01 US claimed
US-7053068-B2 Chitosan-thio-amidine conjugates and their cosmetic as well as pharmaceutic use MUCOBIOMER BIOTECHNOLOGISCHE FORSCHUNGS- UND ENTWICKLUNGS GESMBH (AT) 2006-05-30 US disclosed
US-20050191261-A1 Process for strengthening hair and improving the compatibility of a treatment for waving the hair with another subsequent cosmetic treatment comprising applying derivatives of 2-iminothiolane L'OREAL S.A. (FR) 2005-09-01 US disclosed
US-20040236095-A1 Chitosan-thio-amidine conjugates and their cosmetic as well as pharmeceutic use MUCOBIOMER BIOTECHNOLOGISCHE FORSCHUNGS-UND ENTWICKLUNGS GESMBH (AT) 2004-11-25 US disclosed
CN-1549829-A Chitosan-thio-amidine conjugates and their cosmetic as well as pharmaceutic use 穆考彼姆尔生物技术研究与发展有限公 2004-11-24 CN disclosed
EP-1456246-A1 CHITOSAN-THIO-AMIDINE CONJUGATES AND THEIR COSMETIC AS WELL AS PHARMACEUTIC USE Mucobiomer Biotechnologische Forschungs- und Entwicklungs GESMBH (AT) 2004-09-15 EP disclosed
WO-2003020771-A1 CHITOSAN-THIO-AMIDINE CONJUGATES AND THEIR COSMETIC AS WELL AS PHARMACEUTIC USE MUCOBIOMER BIOTECHNOLOGISCHE FORSCHUNGS- UND ENTWICKLUNGS GESMBH (AT) 2003-03-13 WO disclosed
US-5183904-A Hindered linking agents and methods XOMA CORPORATION (US) 1993-02-02 US disclosed
US-5093475-A Immunotoxins XOMA CORPORATION (US) 1992-03-03 US disclosed
EP-0454726-A4 HINDERED LINKING AGENTS AND METHODS 1991-11-27 EP disclosed
EP-0454726-A1 HINDERED LINKING AGENTS AND METHODS Xoma Corporation (US) 1991-11-06 EP disclosed
WO-1990006774-A1 HINDERED LINKING AGENTS AND METHODS XOMA CORPORATION (US) 1990-06-28 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 (1 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-20050191261-A1 Process for strengthening hair and improving the compatibility of a treatment for waving the hair with another subsequent cosmetic treatment comprising applying derivatives of 2-iminothiolane IWS1, WFS1, INMT MAOB 369/4885MAOA 476/4885SIGMAR1 4592/4885

“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.