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 | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 14/20 | 0.65 |
| ▸ | GRIN3B known ✓ | O60391 | 14/20 | 0.65 |
| ▸ | GRIN1 known ✓ | Q05586 | 14/20 | 0.65 |
| ▸ | GRIN2A known ✓ | Q12879 | 14/20 | 0.65 |
| ▸ | GRIN2B known ✓ | Q13224 | 14/20 | 0.65 |
| ▸ | GRIN2C known ✓ | Q14957 | 14/20 | 0.65 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 14/20 | 0.65 |
| ▸ | CHRM1 known ✓ | P11229 | 6/20 | 0.55 |
| ▸ | ADRA1D known ✓ | P25100 | 6/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 6/20 | 0.55 |
| ▸ | ADRA1B known ✓ | P35368 | 6/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | EED | O75530 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443144 | 0.79 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL4139573 | 0.76 | GRIN2D (0.68) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL19998581 | 0.76 | GRIN2D (0.68) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL30152537 | 0.75 | PDE10A (0.52) | — | |
| Hydrochloric Acid SCHEMBL23167793 | 0.75 | PDE10A (0.52) | — | |
| SCHEMBL21730384 | 0.75 | PDE10A (0.51) | — | |
| SCHEMBL2456126 | 0.75 | PDE10A (0.55) | — | |
| SCHEMBL6790178 | 0.74 | GRIN2D (0.65) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL21722602 | 0.74 | HTR3A (0.60) | HRH4 | |
| SCHEMBL23207442 | 0.73 | PDE10A (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448547-B1 | PYRIDINE DERIVATIVES AS NMDA RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2005-04-20 | — | — | EP | disclosed |
| US-6831087-B2 | 2-(Pyrid-2- or 4-yl)-1,2,3,4-tetrahydroisoquinoline and derivatives; a good affinity to the NMDA receptor (N-methyl-D-asparate); acute/cronic neurodegenerative diseases; bacterial/viral infections; antidepressants; analgesics | HOFFMANN-LA ROCHE INC. | 2004-12-14 | — | — | US | disclosed |
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-26 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030119870-A1 | Pyridine substituted isoquinoline derivatives | GRIN1, GRIN2C, GRIN2A | GRIN2D 8/4885GRIN3B 6/4885GRIN1 1/4885 |
“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.