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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 5/20 | 0.69 |
| ▸ | HTR7 known ✓ | P34969 | 4/20 | 0.69 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.69 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.69 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.69 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.69 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.69 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.69 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.69 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.69 |
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.45 |
| ▸ | DRD3 known ✓ | P35462 | 3/20 | 0.45 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
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 SCHEMBL338321 | 1.00 | HTR1A (0.69) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL339897 | 1.00 | HTR1A (0.69) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| SCHEMBL338420 | 0.99 | HTR1A (0.71) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| SCHEMBL339404 | 0.99 | HTR1A (0.71) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3689918 | 0.83 | HTR1A (0.67) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL339586 | 0.83 | HTR1A (0.67) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL339585 | 0.83 | HTR1A (0.67) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3689172 | 0.83 | HTR1A (0.98) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3318115 | 0.83 | HTR1A (0.98) | HTR1AHTR7CHRM5ADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3689917 | 0.83 | HTR1A (0.67) | HTR1AHTR7CHRM5ADRA2AADRA2B |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197717-A1 | COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | claimed |
| EP-1997493-A1 | Combination of a 5-HT7 receptor ligand and an opioid receptor ligand | Laboratorios del Dr. Esteve S.A. (ES) | 2008-12-03 | — | — | EP | claimed |
| EP-1956006-A1 | Heterocyclyl-substituted-tetrahydro-naphthalen derivatives as 5-HT7 receptor ligands | Laboratorios del Dr. Esteve S.A. (ES) | 2008-08-13 | — | — | EP | claimed |
| US-8097641-B2 | Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-01-17 | — | — | US | disclosed |
| US-20100197717-A1 | COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-08-05 | — | — | US | disclosed |
| US-20100035936-A1 | HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-02-11 | — | — | US | disclosed |
| EP-2114893-A1 | HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2009-11-11 | — | — | EP | disclosed |
| EP-1997493-A1 | Combination of a 5-HT7 receptor ligand and an opioid receptor ligand | Laboratorios del Dr. Esteve S.A. (ES) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008095689-A1 | HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-08-14 | — | — | WO | disclosed |
| EP-1956006-A1 | Heterocyclyl-substituted-tetrahydro-naphthalen derivatives as 5-HT7 receptor ligands | Laboratorios del Dr. Esteve S.A. (ES) | 2008-08-13 | — | — | 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 (2 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-20100197717-A1 | COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND | OPRL1, OPRM1, OPRK1 | HTR1A 8/4885HTR7 5/4885CHRM5 93/4885 |
| US-20100035936-A1 | HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS | HTR7, HTR2C, HTR6 | HTR1A 4/4885HTR7 1/4885CHRM5 327/4885 |
“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.