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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D known ✓ | O15399 | 7/20 | 0.46 |
| ▸ | GRIN3B known ✓ | O60391 | 7/20 | 0.46 |
| ▸ | GRIN1 known ✓ | Q05586 | 7/20 | 0.46 |
| ▸ | GRIN2A known ✓ | Q12879 | 7/20 | 0.46 |
| ▸ | GRIN2B known ✓ | Q13224 | 7/20 | 0.46 |
| ▸ | GRIN2C known ✓ | Q14957 | 7/20 | 0.46 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 7/20 | 0.46 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.44 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 4/20 | 0.44 |
| ▸ | ADRA1B known ✓ | P35368 | 4/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.55 |
| ▸ | EED | O75530 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 SCHEMBL6160557 | 0.81 | NUDT1 (0.52) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6162260 | 0.80 | NUDT1 (0.61) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6159581 | 0.78 | NUDT1 (0.63) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30061248 | 0.76 | MAPT (0.46) | MAPTKDM4EMAPK1LMNAHTT | |
| Hydrochloric Acid SCHEMBL6158505 | 0.76 | NUDT1 (0.54) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30058953 | 0.74 | NCF1 (0.69) | MAPTKDM4ELMNAHTTNCF1 | |
| SCHEMBL27882424 | 0.74 | EED (0.50) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL3580108 | 0.72 | ALDH1A1 (0.48) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL29923575 | 0.71 | CYP1A2 (0.53) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL28043453 | 0.71 | CYP1A2 (0.53) | NUDT1GRIN2DGRIN3BGRIN1GRIN2A |
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-1090917-B1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | HOFFMANN LA ROCHE (CH) | 2005-12-21 | — | — | EP | disclosed |
| US-6339093-B1 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-01-15 | — | — | US | disclosed |
| EP-1090917-A1 | Quinolin-4-yl derivatives and their use as NMDA-receptor subtype blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-11 | — | — | EP | disclosed |