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 | |
|---|---|---|---|---|
| ▸ | MAPK14 known ✓ | Q16539 | 10/20 | 0.98 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.51 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.47 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.47 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 9/20 | 0.98 |
| ▸ | MAPK13 | O15264 | 8/20 | 0.98 |
| ▸ | MAPK12 | P53778 | 8/20 | 0.98 |
| ▸ | MAPK9 | P45984 | 4/20 | 0.98 |
| ▸ | RAF1 | P04049 | 3/20 | 0.98 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.65 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.65 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.65 |
| ▸ | GCGR | P47871 | 5/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | FRK | P42685 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.51 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4026830 | 0.99 | MAPK14 (1.00) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL19868972 | 0.87 | MAPK14 (0.97) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL19869014 | 0.86 | MAPK14 (1.00) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL4587083 | 0.84 | MAPK11 (1.00) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL4024638 | 0.84 | MAPK11 (1.00) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL1387706 | 0.84 | CSNK1D (0.88) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL9857183 | 0.80 | MAPK13 (0.80) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL19869015 | 0.79 | MAPK13 (0.77) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| SCHEMBL4028779 | 0.78 | MAPK14 (0.71) | MAPK14MAPK11MAPK13MAPK12MAPK9 | |
| Hydrochloric Acid SCHEMBL5255931 | 0.77 | MAPK14 (0.98) | MAPK14MAPK11MAPK13MAPK12MAPK9 |
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-0854870-B1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | disclosed |
| US-6083949-A | FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR | MERCK & CO., INC. (US) | 2000-07-04 | — | — | US | disclosed |
| WO-1997012876-A9 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | — | 1997-09-18 | — | — | WO | disclosed |