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 | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 5/20 | 0.54 |
| ▸ | PIK3CA known ✓ | P42336 | 4/20 | 0.54 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.54 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.54 |
| ▸ | PRKDC | P78527 | 2/20 | 0.49 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.49 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.45 |
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 SCHEMBL189058 | 1.00 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| Hydrochloric Acid SCHEMBL188896 | 1.00 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL189268 | 0.99 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL15256294 | 0.99 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL188621 | 0.99 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL189575 | 0.97 | PIK3CG (0.54) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL12292655 | 0.92 | PIK3CG (0.47) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| SCHEMBL14053965 | 0.89 | PIK3CG (0.52) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| Hydrochloric Acid SCHEMBL189315 | 0.88 | PIK3CG (0.67) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC | |
| Hydrochloric Acid SCHEMBL189316 | 0.88 | PIK3CG (0.67) | PIK3CGPIK3CDPIK3CAPIK3CBPRKDC |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8889664-B2 | Phosphatidylinositol 3-kinase inhibitors and methods of their use | EXELIXIS, INC. (US) | 2014-11-18 | — | — | US | disclosed |
| EP-2139483-B9 | COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2014-05-21 | — | — | EP | disclosed |
| US-20140100215-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2014-04-10 | — | — | US | disclosed |
| US-8642584-B2 | Method of using PI3K and MEK modulators | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| EP-2139483-B1 | COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2013-09-18 | — | — | EP | disclosed |
| US-8481001-B2 | Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer | EXELIXIS, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120302545-A1 | Method of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| EP-2056829-B9 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2056829-B1 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS INC (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-2364974-A1 | N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors | Exelixis, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| US-20110207712-A1 | Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use | EXELIXIS, INC. (US) | 2011-08-25 | — | — | US | disclosed |
| US-7989622-B2 | Phosphatidylinositol 3-kinase inhibitors and methods of their use | EXELIXIS, INC. (US) | 2011-08-02 | — | — | US | disclosed |
| US-20110123434-A1 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS, INC (US) | 2011-05-26 | — | — | US | disclosed |
| US-20100087440-A1 | Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use | EXELIXIS, INC. | 2010-04-08 | — | — | US | disclosed |
| US-20100075947-A1 | Methods of Using PI3K and MEK Modulators | EXELIXIS, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| EP-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | 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 (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-20100087440-A1 | Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use | PIK3CA, PIK3CB, PIK3CG | PIK3CD 4/4885PIK3CA 1/4885GAA 1284/4885 |
| US-20100075947-A1 | Methods of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | PIK3CD 2/4885PIK3CA 1/4885GAA 2188/4885 |
| US-20110207712-A1 | Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use | PIK3CA, PIK3CB, PIK3CG | PIK3CD 4/4885PIK3CA 1/4885GAA 1284/4885 |
| US-20140100215-A1 | Methods of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | PIK3CD 2/4885PIK3CA 1/4885GAA 2188/4885 |
| US-20120302545-A1 | Method of Using PI3K and MEK Modulators | PIK3CA, PIK3CD, PIK3R1 | PIK3CD 2/4885PIK3CA 1/4885GAA 2367/4885 |
| US-20110123434-A1 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER | TP53, PHKG1, TNNI3K | PIK3CD 339/4885PIK3CA 145/4885GAA 1936/4885 |
“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.