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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.49 |
| ▸ | GRIN2D known ✓ | O15399 | 8/20 | 0.48 |
| ▸ | GRIN3B known ✓ | O60391 | 8/20 | 0.48 |
| ▸ | GRIN1 known ✓ | Q05586 | 8/20 | 0.48 |
| ▸ | GRIN2A known ✓ | Q12879 | 8/20 | 0.48 |
| ▸ | GRIN2B known ✓ | Q13224 | 8/20 | 0.48 |
| ▸ | GRIN2C known ✓ | Q14957 | 8/20 | 0.48 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 8/20 | 0.48 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14266747 | 0.99 | BCHE (0.50) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL420910 | 0.90 | BCHE (0.54) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8202805 | 0.89 | BCHE (0.55) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL422740 | 0.86 | KMT2A (0.57) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10044163 | 0.85 | ADRB2 (0.42) | BCHERAB9AKMT2A | |
| SCHEMBL8200714 | 0.84 | KMT2A (0.58) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6478440 | 0.84 | BCHE (0.57) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL10072024 | 0.79 | BCHE (0.55) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7715339 | 0.79 | BCHE (0.60) | BCHEGRIN2DGRIN3BGRIN1GRIN2A | |
| Water SCHEMBL6489575 | 0.78 | BCHE (0.58) | BCHEGRIN2DGRIN3BGRIN1GRIN2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-05-07 | — | — | US | disclosed |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (US) | 2013-12-19 | — | — | US | disclosed |
| US-20130018191-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | ABRECHT STEFAN (CH) | 2013-01-17 | — | — | US | disclosed |
| US-20120022260-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | ABRECHT STEFAN (CH) | 2012-01-26 | — | — | US | disclosed |
| EP-2066667-B1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMAN-LA ROCHE INC. | 2008-03-20 | — | — | 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 (5 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-20130018191-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BCHE 1011/4885GRIN2D 1255/4885GRIN3B 1494/4885 |
| US-20130338366-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-A] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BCHE 1011/4885GRIN2D 1255/4885GRIN3B 1494/4885 |
| US-20120022260-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BCHE 1011/4885GRIN2D 1255/4885GRIN3B 1494/4885 |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | PNPO, ENO1, CHRM1 | BCHE 1011/4885GRIN2D 1255/4885GRIN3B 1494/4885 |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | PNPO, ENO1, CHRM1 | BCHE 1011/4885GRIN2D 1255/4885GRIN3B 1494/4885 |
“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.