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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 2/20 | 0.42 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.38 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL960926 | 0.98 | HTR4 (0.43) | HTR4KEAP1SMN1; SMN2HRH3MAPT | |
| SCHEMBL4195076 | 0.79 | KMT2A (0.42) | HTR4KEAP1SMN1; SMN2HRH3MAPT | |
| SCHEMBL5249800 | 0.76 | EPHX2 (0.43) | HTR4KEAP1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL6674597 | 0.75 | SMN1; SMN2 (0.56) | KEAP1SMN1; SMN2HRH3LMNAGLA | |
| SCHEMBL151418 | 0.75 | CXCR4 (0.57) | KEAP1SMN1; SMN2HRH3LMNAGLA | |
| Hydrochloric Acid SCHEMBL27141329 | 0.75 | GLA (0.48) | KEAP1SMN1; SMN2HRH3KMT2AMEN1 | |
| SCHEMBL5306266 | 0.75 | HTR4 (0.47) | HTR4 | |
| Hydrochloric Acid SCHEMBL31040251 | 0.74 | GLA (0.50) | KEAP1SMN1; SMN2HRH3MAPTNPSR1 | |
| SCHEMBL14375265 | 0.74 | HTR4 (0.45) | HTR4HRH3LMNAIKBKBALDH1A1 | |
| SCHEMBL4342856 | 0.74 | KEAP1 (0.54) | KEAP1SMN1; SMN2HRH3MAPTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411387-B1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | VETDC INC (US) | 2015-08-19 | — | — | EP | disclosed |
| US-9108980-B2 | Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy | VETDC, INC. (US) | 2015-08-18 | — | — | US | disclosed |
| US-20150038486-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | ELANCO US INC. | 2015-02-05 | — | — | US | disclosed |
| US-8772287-B2 | Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy | VETDC, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8697693-B2 | Pharmaceutical compounds | F. Hoffmann LaRoche AG (CH) | 2014-04-15 | — | — | US | disclosed |
| US-20130289016-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | ELANCO US INC. | 2013-10-31 | — | — | US | disclosed |
| US-8461158-B2 | Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy | PATHWAY THERAPEUTICS INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20120283257-A1 | PHARMACEUTICAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-11-08 | — | — | US | disclosed |
| US-8252792-B2 | Pyrimidine derivatives as PI3K inhibitors | F. HOFFMAN-LA ROCHE AG (CH) | 2012-08-28 | — | — | US | disclosed |
| EP-2411387-A2 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | Pathway Therapeutics, Inc. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010110685-A2 | PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2010-09-30 | — | — | WO | disclosed |
| US-20100249099-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2010-09-30 | — | — | US | disclosed |
| US-20100016306-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-21 | — | — | US | disclosed |
| EP-2032582-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-11 | — | — | EP | disclosed |
| WO-2007122410-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-11-01 | — | — | 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 (5 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-20120283257-A1 | PHARMACEUTICAL COMPOUNDS | PIK3CA, PIK3CD, PIK3R5 | HTR4 2842/4885HRH3 965/4885GLA 4069/4885 |
| US-20100249099-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | PAICS, CCNI, TYMS | HTR4 3240/4885HRH3 3300/4885GLA 3739/4885 |
| US-20100016306-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS | PIK3CA, PIK3CD, PIK3CB | HTR4 3499/4885HRH3 1088/4885GLA 4301/4885 |
| US-20150038486-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | PAICS, CCNI, TYMS | HTR4 3240/4885HRH3 3300/4885GLA 3739/4885 |
| US-20130289016-A1 | PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY | PAICS, CCNI, TYMS | HTR4 3240/4885HRH3 3300/4885GLA 3739/4885 |
“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.