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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.56 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.44 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.40 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.39 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.37 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 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 SCHEMBL253095 | 1.00 | HTR1A (0.56) | HTR1AADRA1AHSD11B1ACHELMNA | |
| Hydrochloric Acid SCHEMBL50121 | 1.00 | HTR1A (0.56) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL51178 | 0.99 | HTR1A (0.58) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL21255278 | 0.99 | HTR1A (0.58) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL51099 | 0.99 | HTR1A (0.58) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL51308 | 0.99 | HTR1A (0.58) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL51164 | 0.99 | HTR1A (0.58) | HTR1AADRA1AHSD11B1ACHELMNA | |
| SCHEMBL8067114 | 0.85 | HTR1A (0.51) | HTR1AADRA1AHSD11B1LMNATSHR | |
| SCHEMBL8057856 | 0.85 | HTR1A (0.51) | HTR1AADRA1AHSD11B1LMNATSHR | |
| SCHEMBL10760426 | 0.81 | HTR1A (0.84) | HTR1AHSD11B1DRD2DRD3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3653210-A1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | H. Lundbeck A/S (DK) | 2020-05-20 | — | — | EP | disclosed |
| EP-2400967-B1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | H LUNDBECK AS (DK) | 2019-08-14 | — | — | EP | disclosed |
| EP-3009437-A1 | A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE | H. Lundbeck A/S (DK) | 2016-04-20 | — | — | EP | disclosed |
| EP-2197883-B1 | Catecholamine derivative useful for the treatment of parkinson's disease | LUNDBECK & CO AS H (DK) | 2015-11-18 | — | — | EP | disclosed |
| EP-2662358-A1 | Catecholamine derivatives and prodrugs thereof | H. Lundbeck A/S (DK) | 2013-11-13 | — | — | EP | disclosed |
| US-20120108624-A1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | H. LUNDBECK A/S (DK) | 2012-05-03 | — | — | US | disclosed |
| US-20120077836-A1 | METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF | H. LUNDBECK A/S (DK) | 2012-03-29 | — | — | US | disclosed |
| US-8129530-B2 | Catecholamine derivatives and prodrugs thereof | H. LUNDBECK A/S (DK) | 2012-03-06 | — | — | US | disclosed |
| EP-2400967-A1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | H. Lundbeck A/S (DK) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097092-A1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | H. LUNDBECK A/S (DK) | 2010-09-02 | — | — | WO | disclosed |
| EP-2197883-A1 | CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE | H. Lundbeck A/S (DK) | 2010-06-23 | — | — | EP | disclosed |
| EP-2195291-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. Lundbeck A/S (DK) | 2010-06-16 | — | — | EP | disclosed |
| US-20090124651-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-05-14 | — | — | US | disclosed |
| WO-2009026935-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009026934-A1 | CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | WO | disclosed |
| US-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | H. LUNDBECK A/S (DK) | 2009-03-05 | — | — | 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 (4 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-20120077836-A1 | METHODS OF ADMINISTERING (4AR,10AR)-1-N-PROPYL-1,2,3,4,4A,5,10,10A-OCTAHYDROBENZO [G] QUINOLINE-6,7-DIOL AND RELATED COMPOUNDS ACROSS THE ORAL MUCOSA, THE NASAL MUCOSA OR THE SKIN AND PHARMACEUTICAL COMPOSITIONS THEREOF | PARK7, SNCA, OPRD1 | HTR1A 12/4885ADRA1A 341/4885HSD11B1 383/4885 |
| US-20090124651-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | HTR1A 210/4885ADRA1A 8/4885HSD11B1 129/4885 |
| US-20090062324-A1 | CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF | COMT, ADRB3, ADRB1 | HTR1A 210/4885ADRA1A 8/4885HSD11B1 129/4885 |
| US-20120108624-A1 | TREATMENT OF DYSKINESIA RELATED DISORDERS | PARK7, ACHE, SNCA | HTR1A 469/4885ADRA1A 776/4885HSD11B1 1979/4885 |
“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.