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 | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.36 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.30 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30181273 | 0.97 | ALDH1A1 (0.39) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL1085636 | 0.97 | ALDH1A1 (0.39) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL30673309 | 0.81 | POLB (0.36) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL26927471 | 0.81 | POLB (0.36) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL5241664 | 0.79 | CYP3A4 (0.46) | ALDH1A1CYP3A4TSHRPIK3CATDP1 | |
| SCHEMBL6832095 | 0.77 | CYP3A4 (0.43) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL29410339 | 0.77 | POLB (0.56) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL19690348 | 0.77 | POLB (0.56) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL2284180 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRPIK3CATDP1 | |
| SCHEMBL2934547 | 0.75 | CYP3A4 (0.53) | ALDH1A1CD44CYP3A4TSHRPIK3CA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371311-B2 | Benzoimidazol-2-yl pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2016-06-21 | — | — | US | disclosed |
| EP-2865678-A2 | Crystalline hemi-tartrate form of a benzoimidazol-2-yl pyrimidine derivative | Janssen Pharmaceutica NV (BE) | 2015-04-29 | — | — | EP | disclosed |
| US-8921550-B2 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | JANSSEN PHARMACEUTICA, NV (BE) | 2014-12-30 | — | — | US | disclosed |
| US-20140357865-A1 | Process for the Preparation of Benzoimidazol-2-yl Pyrimidine Derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-04 | — | — | US | disclosed |
| US-8835633-B2 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-16 | — | — | US | disclosed |
| US-20120184740-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | CESCO-CANCIAN SERGIO (US) | 2012-07-19 | — | — | US | disclosed |
| US-20120178932-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatgives | CESCO-CANCIAN SERGIO (US) | 2012-07-12 | — | — | US | disclosed |
| US-8084466-B2 | Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-27 | — | — | US | disclosed |
| US-20100029942-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2010-02-04 | — | — | US | disclosed |
| WO-2009079001-A1 | BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-06-25 | — | — | WO | disclosed |
| US-20090156613-A1 | Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor | KINDRACHUK DAVID E | 2009-06-18 | — | — | US | 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-20120178932-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatgives | HRH4, HRH2, HRH3 | PIK3CA 796/4885GAA 1141/4885CA2 2589/4885 |
| US-20140357865-A1 | Process for the Preparation of Benzoimidazol-2-yl Pyrimidine Derivatives | HRH4, HRH2, HRH3 | PIK3CA 672/4885GAA 3271/4885CA2 2771/4885 |
| US-20090156613-A1 | Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor | HRH4, HRH3, HRH1 | PIK3CA 944/4885GAA 4378/4885CA2 2453/4885 |
| US-20100029942-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | HRH4, HRH2, HRH3 | PIK3CA 672/4885GAA 3271/4885CA2 2771/4885 |
| US-20120184740-A1 | Process for the preparation of benzoimidazol-2-yl pyrimidine derivatives | HRH4, HRH2, HRH3 | PIK3CA 672/4885GAA 3271/4885CA2 2771/4885 |
“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.