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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B known ✓ | Q00975 | 1/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | P2RY10 | O00398 | 1/20 | 0.31 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.31 |
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 SCHEMBL2523801 | 1.00 | GRIK1 (0.41) | GRIK1GRIK2ALDH1A1LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL74586 | 1.00 | GRIK1 (0.41) | GRIK1GRIK2ALDH1A1LMNAMEN1 | |
| SCHEMBL8054443 | 0.98 | — | — | |
| SCHEMBL1198196 | 0.98 | — | — | |
| SCHEMBL4573274 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3620844 | 0.82 | GRIK1 (0.40) | GRIK1GRIK2ALDH1A1LMNATSHR | |
| SCHEMBL24732858 | 0.81 | GRIK1 (0.53) | GRIK1GRIK2ALDH1A1LMNAMEN1 | |
| SCHEMBL30965308 | 0.81 | GRIK1 (0.53) | GRIK1GRIK2ALDH1A1LMNAMEN1 | |
| SCHEMBL8655715 | 0.80 | GRIK1 (0.37) | GRIK1GRIK2ALDH1A1MEN1KMT2A | |
| SCHEMBL8655531 | 0.80 | GRIK1 (0.37) | GRIK1GRIK2ALDH1A1MEN1KMT2A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | disclosed |
| CN-101558049-B | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG | 2012-08-15 | — | — | CN | disclosed |
| US-20120202794-A1 | COMPOUNDS | PHARMASSET, INC. (US) | 2012-08-09 | — | — | US | disclosed |
| US-8129358-B2 | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-8039430-B2 | Peptidic compounds | UNIVERSITY OF WOLLONGONG (AU) | 2011-10-18 | — | — | US | disclosed |
| EP-1912972-B1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2011-09-28 | — | — | EP | disclosed |
| US-7902240-B2 | Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide | NOVARTIS AG (CH) | 2011-03-08 | — | — | US | disclosed |
| US-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | disclosed |
| US-7626040-B2 | Substituted imidazole compounds as KSP inhibitors | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-12-01 | — | — | US | disclosed |
| CN-101558049-A | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2009-10-14 | — | — | CN | disclosed |
| EP-2091926-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | Novartis AG (CH) | 2009-08-26 | — | — | EP | disclosed |
| US-20080300287-A1 | Peptidic Compounds | UNIVERSITY OF WOLLONGONG (AU) | 2008-12-04 | — | — | US | disclosed |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG | 2008-08-21 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | US | disclosed |
| WO-2008063912-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2008-05-29 | — | — | WO | disclosed |
| EP-1912972-A1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | Novartis AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007021794-A1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2007-02-22 | — | — | WO | disclosed |
| US-20070037853-A1 | N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition | NOVARTIS VACCINES AND DIAGNOSTICS INC. | 2007-02-15 | — | — | 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 (6 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-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | APP, BACE1, BACE2 | CACNA1B 456/4885GRIK1 828/4885GRIK2 929/4885 |
| US-20080300287-A1 | Peptidic Compounds | VIP, NGLY1, FURIN | CACNA1B 4844/4885GRIK1 4615/4885GRIK2 4762/4885 |
| US-20070037853-A1 | N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition | KIF5B, KIF2C, KIF18B | CACNA1B 3143/4885GRIK1 1522/4885GRIK2 1496/4885 |
| US-20120202794-A1 | COMPOUNDS | HAVCR2, MAVS, GOT2 | CACNA1B 4597/4885GRIK1 4256/4885GRIK2 4298/4885 |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP3A43, ABCG2, CYP3A7 | CACNA1B 3206/4885GRIK1 470/4885GRIK2 757/4885 |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP3A43, ABCG2, CYP3A7 | CACNA1B 3206/4885GRIK1 470/4885GRIK2 757/4885 |
“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.