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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | KCNQ3 known ✓ | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 known ✓ | O43526 | 1/20 | 0.38 |
| ▸ | KCNQ4 known ✓ | P56696 | 1/20 | 0.38 |
| ▸ | KCNQ5 known ✓ | Q9NR82 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117178 | 0.98 | ALDH1A1 (0.45) | ALDH1A1GAAADRA1DCYP3A4CYP2D6 | |
| SCHEMBL17061124 | 0.98 | ALDH1A1 (0.45) | ALDH1A1GAAADRA1DCYP3A4CYP2D6 | |
| SCHEMBL26101860 | 0.98 | ALDH1A1 (0.45) | ALDH1A1GAAADRA1DCYP3A4CYP2D6 | |
| SCHEMBL3465330 | 0.98 | ALDH1A1 (0.45) | ALDH1A1GAAADRA1DCYP3A4CYP2D6 | |
| SCHEMBL30358121 | 0.98 | ALDH1A1 (0.45) | ALDH1A1GAAADRA1DCYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL31365115 | 0.85 | CA2 (0.57) | CA2CA1 | |
| Hydrochloric Acid SCHEMBL7142051 | 0.85 | CA2 (0.57) | CA2CA1 | |
| SCHEMBL4631093 | 0.83 | CA2 (0.59) | CA2CA1 | |
| SCHEMBL8249478 | 0.83 | CA2 (0.59) | CA2CA1 | |
| SCHEMBL12052154 | 0.83 | CA2 (0.59) | CA2CA1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9657014-B2 | Substituted 1,6-naphthyridines | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| EP-2991635-B1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-12 | — | — | EP | disclosed |
| US-9586903-B2 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-03-07 | — | — | US | disclosed |
| EP-2991635-A1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-20160046583-A1 | ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-02-18 | — | — | US | disclosed |
| CN-105163727-A | Neurogenesis-stimulating isoquinoline derivatives | HOFFMANN LA ROCHE | 2015-12-16 | — | — | CN | disclosed |
| EP-2922540-A1 | SUBSTITUTED 1,6-NAPHTHYRIDINES | F. Hoffmann-La Roche AG (CH) | 2015-09-30 | — | — | EP | disclosed |
| US-20150252044-A1 | SUBSTITUTED 1,6-NAPHTHYRIDINES | HOFFMANN-LA ROCHE INC. (US) | 2015-09-10 | — | — | US | disclosed |
| CN-104812387-A | Substituted 1, 6-naphthyridines | HOFFMANN LA ROCHE | 2015-07-29 | — | — | CN | disclosed |
| WO-2014177596-A1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |
| WO-2014079787-A1 | SUBSTITUTED 1,6-NAPHTHYRIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-05-30 | — | — | WO | disclosed |
| CN-102066328-A | Iminopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-18 | — | — | CN | disclosed |
| US-20110039892-A1 | IMINOPYRIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-17 | — | — | US | disclosed |
| EP-2269989-A1 | IMINOPYRIDINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | 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 (3 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-20110039892-A1 | IMINOPYRIDINE DERIVATIVE AND USE THEREOF | ADRA1D, ADRB1, ADRB2 | GAA 3356/4885ADRA1D 1/4885SLC6A2 49/4885 |
| US-20150252044-A1 | SUBSTITUTED 1,6-NAPHTHYRIDINES | CBR3, CBR1, NR2C2 | GAA 4713/4885ADRA1D 258/4885SLC6A2 1171/4885 |
| US-20160046583-A1 | ISOQUINOLINE DERIVATIVES | CDR2, DRD2, HCRTR1 | GAA 4454/4885ADRA1D 144/4885SLC6A2 64/4885 |
“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.