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 | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12526928 | 0.99 | CYP1A2 (0.44) | CYP1A2TDP1CYP2C19NSD2CXCR4 | |
| SCHEMBL4757350 | 0.81 | CXCR4 (0.46) | CYP1A2TDP1CYP2C19NSD2CXCR4 | |
| Hydrochloric Acid SCHEMBL3776452 | 0.78 | DDB1 (0.49) | CYP1A2TDP1CYP2C19NSD2CXCR4 | |
| SCHEMBL13015041 | 0.76 | DDB1 (0.50) | CYP1A2TDP1CYP2C19NSD2CXCR4 | |
| Hydrochloric Acid SCHEMBL27748341 | 0.70 | MAPK14 (0.38) | CYP1A2TDP1CYP2C19HRH3IRAK4 | |
| Hydrochloric Acid SCHEMBL1748358 | 0.69 | PLAT (0.39) | CYP1A2TDP1CYP2C19HRH3IRAK4 | |
| SCHEMBL1748288 | 0.68 | SSTR5 (0.53) | NSD2ALDH1A1 | |
| SCHEMBL2419105 | 0.68 | TDP1 (0.41) | CYP1A2TDP1CYP2C19HRH3IRAK4 | |
| SCHEMBL28883722 | 0.68 | CYP1A2 (0.41) | CYP1A2TDP1CYP2C19NSD2HRH3 | |
| SCHEMBL401293 | 0.67 | CYP1A2 (0.48) | CYP1A2TDP1ALDH1A1LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968568-B2 | [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus | HOFFMANN-LA ROCHE INC. (US) | 2011-06-28 | — | — | US | disclosed |
| EP-2044054-B1 | PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2011-06-08 | — | — | EP | disclosed |
| US-20100069413-A1 | Pyrimidine and Quinazoline Derivatives | CHRIST ANDREAS D | 2010-03-18 | — | — | US | disclosed |
| US-7674804-B2 | Pyrimidine and quinazoline derivatives as SST5 modulators | HOFFMANN-LA ROCHE INC. (US) | 2010-03-09 | — | — | US | disclosed |
| EP-2044054-A2 | PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY | F. Hoffmann-Roche AG (CH) | 2009-04-08 | — | — | EP | disclosed |
| US-20080045550-A1 | Pyrimidine and quinazoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | US | disclosed |
| WO-2008000692-A2 | PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | 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 (2 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-20100069413-A1 | Pyrimidine and Quinazoline Derivatives | SSTR5, SSTR3, NPY5R | HRH3 241/4885CYP1A2 979/4885TDP1 1454/4885 |
| US-20080045550-A1 | Pyrimidine and quinazoline derivatives | SSTR5, SSTR3, NPY5R | HRH3 241/4885CYP1A2 979/4885TDP1 1454/4885 |
“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.