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 | 1/20 | 0.43 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.43 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 12/20 | 0.66 |
| ▸ | GRIK2 | Q13002 | 11/20 | 0.66 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | GRM8 | O00222 | 1/20 | 0.43 |
| ▸ | GRM6 | O15303 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL713389 | 1.00 | GRIK1 (0.66) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL2523802 | 1.00 | GRIK1 (0.66) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL712566 | 1.00 | GRIK1 (0.66) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL7420822 | 1.00 | GRIK1 (0.66) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| Hydrochloric Acid SCHEMBL712565 | 1.00 | GRIK1 (0.66) | GRIK1GRIK2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL15703578 | 0.98 | — | — | |
| SCHEMBL866068 | 0.98 | — | — | |
| SCHEMBL13406449 | 0.98 | — | — | |
| SCHEMBL8186028 | 0.98 | — | — | |
| SCHEMBL14388431 | 0.98 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150315243-A1 | METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS | SYNGENE LTD (AU) | 2015-11-05 | — | — | US | disclosed |
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | disclosed |
| EP-1984384-B1 | Conotoxin analogues, and methods for synthesis of intramolecular dicarba bridge containing peptides | SYNGENE LTD (AU) | 2015-10-21 | — | — | EP | disclosed |
| US-9102708-B2 | Methods for the synthesis of dicarba bridges in organic compounds | SYNGENE LIMITED (AU) | 2015-08-11 | — | — | US | disclosed |
| US-8759480-B2 | Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides | SYNGENE LIMITED (AU) | 2014-06-24 | — | — | US | disclosed |
| EP-1984386-B1 | Methods for the synthesis of two or more dicarba bridges in organic compounds | SYNGENE LTD (AU) | 2013-10-09 | — | — | EP | disclosed |
| US-20130123463-A1 | METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS | SYNGENE LIMITED (AU) | 2013-05-16 | — | — | US | disclosed |
| US-8362204-B2 | Methods for the synthesis of two or more dicarba bridges in organic compounds | SYNGENE LIMITED (AU) | 2013-01-29 | — | — | US | disclosed |
| US-20130023645-A1 | METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS | SYNGENE LIMITED (AU) | 2013-01-24 | — | — | US | disclosed |
| US-20120142892-A1 | CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES | POLYCHIP PHARMACEUTICALS PTY LTD. (AU) | 2012-06-07 | — | — | US | disclosed |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG | 2008-08-21 | — | — | 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-2007093012-A1 | CONOTOXIN ANALOGUES, AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE CONTAINING PEPTIDES | MONASH UNIVERSITY (AU) | 2007-08-23 | — | — | WO | disclosed |
| US-20070197771-A1 | Methods for the synthesis of two or more dicarba bridges in organic compounds | SYNGENE LIMITED (AU) | 2007-08-23 | — | — | US | disclosed |
| US-20070197429-A1 | Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides | SYNGENE LIMITED (AU) | 2007-08-23 | — | — | US | disclosed |
| WO-2007093013-A1 | METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS | MONASH UNIVERSITY (AU) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007093014-A1 | METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS | MONASH UNIVERSITY (AU) | 2007-08-23 | — | — | WO | 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 (8 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-20130023645-A1 | METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS | DCLRE1A, RNF168, CDCA2 | GRIN2D 2280/4885GRIN3B 2854/4885GRIN1 2813/4885 |
| US-20130123463-A1 | METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS | OTC, NBAS, IDH2 | GRIN2D 1358/4885GRIN3B 2972/4885GRIN1 3066/4885 |
| 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 | GRIN2D 3537/4885GRIN3B 2415/4885GRIN1 2750/4885 |
| US-20120142892-A1 | CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES | VIP, CANX, INHA | GRIN2D 2467/4885GRIN3B 1397/4885GRIN1 1552/4885 |
| US-20080200462-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | CYP3A43, ABCG2, CYP3A7 | GRIN2D 1948/4885GRIN3B 1496/4885GRIN1 1962/4885 |
| US-20150315243-A1 | METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS | DCLRE1A, RNF168, MTCL3 | GRIN2D 2327/4885GRIN3B 2890/4885GRIN1 2952/4885 |
| US-20070197771-A1 | Methods for the synthesis of two or more dicarba bridges in organic compounds | OTC, NBAS, IDH2 | GRIN2D 1358/4885GRIN3B 2972/4885GRIN1 3066/4885 |
| US-20070197429-A1 | Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides | VIP, NRDC, INHA | GRIN2D 2815/4885GRIN3B 1434/4885GRIN1 1604/4885 |
“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.