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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 14/20 | 0.54 |
| ▸ | PIK3CA known ✓ | P42336 | 10/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 14/20 | 0.54 |
| ▸ | PIK3CB | P42338 | 8/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.51 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.51 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.51 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.51 |
| ▸ | PI4KA | P42356 | 1/20 | 0.51 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL436324 | 0.99 | PIK3CD (0.55) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| Hydrochlorthiazide SCHEMBL459506 | 0.92 | PIK3CD (0.48) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL435741 | 0.85 | PIK3CD (0.54) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL434648 | 0.82 | PIK3CD (0.65) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| Hydrochloric Acid SCHEMBL4707313 | 0.81 | TGFBR1 (0.37) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL4222907 | 0.80 | PIK3CD (0.56) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL4222887 | 0.80 | PIK3CD (0.56) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL48762 | 0.80 | PIK3CD (0.67) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL21301610 | 0.79 | PIK3CD (0.56) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB | |
| SCHEMBL14384982 | 0.79 | PIK3CD (0.54) | PIK3CDPIK3CGPIK3CAPIK3CBPI4KB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2410062-A1 | Selectivity profiling of PI3K interacting molecules against multiple targets | CELLZOME AG (DE) | 2012-01-25 | — | — | EP | claimed |
| EP-1887359-B1 | Methods for the identification of PI3K interacting molecules and for the purification of PI3K | CELLZOME AG (DE) | 2008-11-12 | — | — | EP | claimed |
| US-8153389-B2 | Methods for the identification of PI3K interacting molecules and for the purification of PI3K | Cellzone AG (DE) | 2012-04-10 | — | — | US | disclosed |
| EP-2410062-A1 | Selectivity profiling of PI3K interacting molecules against multiple targets | CELLZOME AG (DE) | 2012-01-25 | — | — | EP | disclosed |
| EP-2245181-B1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2011-10-12 | — | — | EP | disclosed |
| US-20110111972-A1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2011-05-12 | — | — | US | disclosed |
| EP-2245181-A1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2010-11-03 | — | — | EP | disclosed |
| US-20100055711-A1 | METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K | CELLZOME AG (DE) | 2010-03-04 | — | — | US | disclosed |
| WO-2009098021-A1 | SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS | CELLZOME AG (DE) | 2009-08-13 | — | — | WO | disclosed |
| EP-1887359-B1 | Methods for the identification of PI3K interacting molecules and for the purification of PI3K | CELLZOME AG (DE) | 2008-11-12 | — | — | EP | disclosed |
| EP-1887359-A1 | Methods for the identification of PI3K interacting molecules and for the purification of PI3K | CELLZOME AG (DE) | 2008-02-13 | — | — | EP | disclosed |
| WO-2008015013-A1 | METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K | CELLZOME AG (DE) | 2008-02-07 | — | — | WO | disclosed |