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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.49 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.43 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.43 |
| ▸ | CCR5 known ✓ | P51681 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6475854 | 0.99 | TNIK (0.50) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL3053527 | 0.89 | HDAC1 (0.54) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL3058388 | 0.89 | HDAC1 (0.54) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| SCHEMBL3043168 | 0.88 | HDAC1 (0.55) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| SCHEMBL6483850 | 0.88 | HDAC1 (0.55) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| SCHEMBL3052015 | 0.80 | DUSP3 (0.53) | ADORA2BADORA2AADORA1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3058226 | 0.79 | TNIK (0.49) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL3058224 | 0.79 | TNIK (0.49) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| SCHEMBL6484068 | 0.78 | TNIK (0.49) | TNIKHDAC1ADORA2BADORA2AADORA1 | |
| SCHEMBL6484075 | 0.78 | TNIK (0.49) | TNIKHDAC1ADORA2BADORA2AADORA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100075959-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ALANINE ALEXANDER | 2010-03-25 | — | — | US | disclosed |
| US-20080125419-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ALANINE ALEXANDER | 2008-05-29 | — | — | US | disclosed |
| US-20080108809-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ALANINE ALEXANDER | 2008-05-08 | — | — | US | disclosed |
| EP-1303272-B1 | BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE | HOFFMANN LA ROCHE (CH) | 2008-02-13 | — | — | EP | disclosed |
| US-7317007-B2 | Benzothiazole derivatives with activity as adenosine receptor ligands | HOFFMANN-LA ROCHE INC. (US) | 2008-01-08 | — | — | US | disclosed |
| EP-1797878-A2 | Benzothiazole derivatives | F. Hoffmann-La Roche AG (CH) | 2007-06-20 | — | — | EP | disclosed |
| US-20060003986-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ALANINE ALEXANDER | 2006-01-05 | — | — | US | disclosed |
| US-6963000-B2 | Benzothiazole derivatives with activity as adenosine receptor ligands | HOFFMAN-LA ROCHE INC. (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050026906-A1 | Benzothiazole derivatives with actitvity as adenosine receptor ligands | ALANINE ALEXANDER (FR) | 2005-02-03 | — | — | US | disclosed |
| US-6835732-B2 | Modulation of the adenosine A2A receptor; cardioprotective agents; antiischemic agents; antihypoxia agents; central nervous system disorders, Alzheimer's disease, Parkinson's disease, anxiolytic agents; antidepressants; analgesics | HOFFMAN-LA ROCHE INC. | 2004-12-28 | — | — | US | disclosed |
| US-20030176695-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ALANINE ALEXANDER (FR) | 2003-09-18 | — | — | US | disclosed |
| US-20030125318-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ALANINE ALEXANDER (FR) | 2003-07-03 | — | — | US | disclosed |
| US-20020045615-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | F.HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | US | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060003986-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ADORA2A, ADORA1, ADORA3 | HDAC1 2504/4885CHRM4 1202/4885DRD4 1476/4885 |
| US-20080108809-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ADORA2A, ADORA1, ADORA3 | HDAC1 2504/4885CHRM4 1202/4885DRD4 1476/4885 |
| US-20080125419-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ADORA2A, ADORA1, ADORA3 | HDAC1 2513/4885CHRM4 1545/4885DRD4 1585/4885 |
| US-20030125318-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ADORA2A, ADORA1, ADORA3 | HDAC1 2504/4885CHRM4 1202/4885DRD4 1476/4885 |
| US-20030176695-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ADORA2A, ADORA1, ADORA3 | HDAC1 2504/4885CHRM4 1202/4885DRD4 1476/4885 |
| US-20050026906-A1 | Benzothiazole derivatives with actitvity as adenosine receptor ligands | ADORA2A, ADORA1, ADORA3 | HDAC1 4200/4885CHRM4 977/4885DRD4 1737/4885 |
| US-20100075959-A1 | BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS | ADORA2A, ADORA1, ADORA3 | HDAC1 2513/4885CHRM4 1545/4885DRD4 1585/4885 |
| US-20020045615-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | ADORA2A, ADORA1, ADORA3 | HDAC1 2504/4885CHRM4 1202/4885DRD4 1476/4885 |
“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.