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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 16/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 15/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 13/20 | 0.51 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.43 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.43 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5312255 | 0.99 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| SCHEMBL3869435 | 0.97 | SLC6A3 (0.54) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL5308426 | 0.85 | SLC6A4 (0.50) | SLC6A3SLC6A4SLC6A2CHRM2HTR2A | |
| Hydrochloric Acid SCHEMBL5433219 | 0.84 | SLC6A3 (0.60) | SLC6A3SLC6A4SLC6A2KCNH2 | |
| Hydrochloric Acid SCHEMBL10761073 | 0.83 | SLC6A3 (0.50) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL5313076 | 0.82 | SLC6A3 (0.51) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| SCHEMBL871941 | 0.80 | SLC6A3 (0.53) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| SCHEMBL8040636 | 0.80 | SLC6A3 (0.53) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| SCHEMBL8606048 | 0.80 | SLC6A3 (0.53) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL5310530 | 0.80 | SLC6A3 (0.52) | SLC6A3SLC6A4SLC6A2CYP3A4ALOX15 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0303677-A1 | ARYLCYCLOBUTYL DERIVATIVES FOR TREATMENT OF PARKINSON'S DISEASE | The Boots Company PLC (GB) | 1989-02-22 | — | — | EP | claimed |
| WO-1988006444-A1 | ARYLCYCLOBUTYL DERIVATIVES FOR TREATMENT OF PARKINSON'S DISEASE | THE BOOTS COMPANY PLC (GB) | 1988-09-07 | — | — | WO | claimed |
| EP-0230742-A1 | N,N-dimethyl-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride monohydrate and pharmaceutical compositions containing it | The Boots Company PLC (GB) | 1987-08-05 | — | — | EP | claimed |
| EP-1499309-A4 | PREVENTION AND TREATMENT OF FUNCTIONAL SOMATIC DISORDERS, INCLUDING STRESS-RELATED DISORDERS | CYPRESS BIOSCIENCE INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1404308-A4 | TREATMENT OF DISORDERS SECONDARY TO ORGANIC IMPAIRMENTS | SNOWDEN PHARMACEUTICALS LLC (US) | 2007-05-02 | — | — | EP | disclosed |
| EP-1483580-A4 | BIOMARKER FOR EFFICACY OF APPETITE SUPPRESSANT DRUGS | MERCK & CO INC (US) | 2006-10-11 | — | — | EP | disclosed |
| EP-1499309-A1 | PREVENTION AND TREATMENT OF FUNCTIONAL SOMATIC DISORDERS, INCLUDING STRESS-RELATED DISORDERS | Cypress Bioscience, Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1483580-A2 | BIOMARKER FOR EFFICACY OF APPETITE SUPPRESSANT DRUGS | Merck & Co., Inc. (US) | 2004-12-08 | — | — | EP | disclosed |
| EP-1404308-A1 | TREATMENT OF DISORDERS SECONDARY TO ORGANIC IMPAIRMENTS | Snowden Pharmaceuticals, LLC (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003090743-A1 | PREVENTION AND TREATMENT OF FUNCTIONAL SOMATIC DISORDERS, INCLUDING STRESS-RELATED DISORDERS | CYPRESS BIOSCIENCE, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003075742-A2 | BIOMARKER FOR EFFICACY OF APPETITE SUPPRESSANT DRUGS | MERCK & CO., INC. (US) | 2003-09-18 | — | — | WO | disclosed |
| WO-2002083115-A1 | TREATMENT OF DISORDERS SECONDARY TO ORGANIC IMPAIRMENTS | MUELLER PETER STERLING (US) | 2002-10-24 | — | — | WO | disclosed |
| WO-2002019998-A2 | A METHOD OF TREATING WEIGHT GAIN ASSOCIATED WITH ATYPICAL ANTIPSYCHOTIC USE | ELI LILLY AND COMPANY (US) | 2002-03-14 | — | — | WO | disclosed |
| EP-1150672-A1 | METHOD TO AID SMOKING CESSATION | KNOLL PHARMACEUTICAL COMPANY (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1135115-A2 | USE OF SIBUTRAMINE FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SECONDARY TO ORGANIC IMPAIRMENTS | Mueller, Peter Sterling (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000043002-A1 | METHOD TO AID SMOKING CESSATION | KNOLL PHARMACEUTICAL COMPANY (US) | 2000-07-27 | — | — | WO | disclosed |
| WO-2000032178-A2 | USE OF SIBURAMINE FOR THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM SECONDARY TO ORGANIC IMPAIRMENTS | MUELLER PETER STERLING (US) | 2000-06-08 | — | — | WO | disclosed |
| EP-0303677-A1 | ARYLCYCLOBUTYL DERIVATIVES FOR TREATMENT OF PARKINSON'S DISEASE | The Boots Company PLC (GB) | 1989-02-22 | — | — | EP | disclosed |
| WO-1988006444-A1 | ARYLCYCLOBUTYL DERIVATIVES FOR TREATMENT OF PARKINSON'S DISEASE | THE BOOTS COMPANY PLC (GB) | 1988-09-07 | — | — | WO | disclosed |