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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 known ✓ | Q9ULD8 | 2/20 | 0.44 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.43 |
| ▸ | KCNQ2 known ✓ | O43526 | 1/20 | 0.42 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.42 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 15/20 | 0.96 |
| ▸ | LOX | P28300 | 5/20 | 0.58 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 SCHEMBL1413435 | 1.00 | LOXL2 (0.96) | LOXL2LOXLOXL3KCNH3ROCK1 | |
| Hydrochloric Acid SCHEMBL31572026 | 1.00 | LOXL2 (0.96) | LOXL2LOXLOXL3KCNH3ROCK1 | |
| SCHEMBL2642497 | 0.98 | — | — | |
| SCHEMBL1029000 | 0.81 | LOXL2 (0.70) | LOXL2LOXLOXL3KCNH3KCNQ2 | |
| Hydrochloric Acid SCHEMBL2965940 | 0.78 | LOXL2 (0.61) | LOXL2LOXLOXL3KCNH3KCNQ2 | |
| Hydrochloric Acid SCHEMBL21493081 | 0.78 | LOXL2 (0.58) | LOXL2LOXLOXL3KCNH3KCNQ2 | |
| SCHEMBL27552967 | 0.78 | LOXL2 (0.63) | LOXL2LOXLOXL3KCNQ2CYP3A4 | |
| SCHEMBL27876845 | 0.77 | LOXL2 (0.65) | LOXL2LOXLOXL3 | |
| Hydrochloric Acid SCHEMBL5013442 | 0.77 | LOXL2 (0.59) | LOXL2LOXLOXL3ROCK1 | |
| Hydrochloric Acid SCHEMBL23064166 | 0.76 | NOS3 (0.63) | LOXL2LOXLOXL3ROCK1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261977-A1 | Pyrimidine Derivatives as Cannabinoid Receptor Modulators | GLAXO GROUP LIMITED (GB) | 2008-10-23 | — | — | US | disclosed |
| US-20080132505-A1 | Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine | GLAXO GROUP LIMITED | 2008-06-05 | — | — | US | disclosed |
| US-20070129367-A1 | Pyridine derivatives as cb2 receptor modulators | GLAXO GROUP LIMITED (GB) | 2007-06-07 | — | — | US | disclosed |
| EP-1736470-A2 | Pyrimidine derivatives as CB2 cannabinoid receptor modulators | GLAXO GROUP LIMITED (GB) | 2006-12-27 | — | — | EP | disclosed |
| EP-1732561-A1 | COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2006-12-20 | — | — | EP | disclosed |
| EP-1562907-B1 | PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2006-11-15 | — | — | EP | disclosed |
| EP-1718620-A1 | PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2006-11-08 | — | — | EP | disclosed |
| US-20060247261-A1 | Pyrimidine compounds | GLAXO GROUP LIMITED (GB) | 2006-11-02 | — | — | US | disclosed |
| EP-1534687-B1 | 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS | GLAXO GROUP LTD (GB) | 2006-09-27 | — | — | EP | disclosed |
| WO-2005080350-A1 | PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2005-09-01 | — | — | WO | disclosed |
| WO-2005074939-A1 | COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE | GLAXO GROUP LIMITED (GB) | 2005-08-18 | — | — | WO | disclosed |
| EP-1562907-A1 | PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2005-08-17 | — | — | EP | disclosed |
| EP-1534687-A1 | PYRIMIDINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004029027-A1 | PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2004-04-08 | — | — | WO | disclosed |
| WO-2004018434-A1 | PYRIMIDINE COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2004-03-04 | — | — | WO | 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 (4 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-20070129367-A1 | Pyridine derivatives as cb2 receptor modulators | CNR2, CNR1, TRPV1 | KCNH3 1296/4885ROCK1 3817/4885KCNQ2 590/4885 |
| US-20080261977-A1 | Pyrimidine Derivatives as Cannabinoid Receptor Modulators | CNR2, CNR1, P2RY2 | KCNH3 2649/4885ROCK1 4657/4885KCNQ2 1344/4885 |
| US-20060247261-A1 | Pyrimidine compounds | CNR2, CNR1, P2RX5 | KCNH3 3764/4885ROCK1 4722/4885KCNQ2 2205/4885 |
| US-20080132505-A1 | Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine | CNR2, CNR1, PDE4A | KCNH3 3326/4885ROCK1 1301/4885KCNQ2 2234/4885 |
“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.