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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.50 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.50 |
| ▸ | CHRNB4 known ✓ | P30926 | 3/20 | 0.47 |
| ▸ | CHRNA3 known ✓ | P32297 | 3/20 | 0.47 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 2/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2227823 | 0.99 | TP53 (0.50) | MAOAMAOBTP53CYP3A4CHRNB4 | |
| Hydrochloric Acid SCHEMBL19405772 | 0.86 | CYP3A4 (0.55) | MAOBTP53CYP3A4TSHR | |
| SCHEMBL12614437 | 0.85 | CYP3A4 (0.56) | MAOBTP53CYP3A4TSHR | |
| SCHEMBL2229948 | 0.83 | MAOA (0.52) | MAOAMAOBTP53CYP3A4CHRNB4 | |
| SCHEMBL15672716 | 0.82 | MAOA (0.52) | MAOAMAOBCHRNB4CHRNA3CARM1 | |
| SCHEMBL791914 | 0.82 | CHRNB4 (0.63) | MAOAMAOBCHRNB4CHRNA3CARM1 | |
| SCHEMBL3604438 | 0.82 | MAOA (0.46) | MAOAMAOBCARM1PRMT6CXCR1 | |
| SCHEMBL1674238 | 0.80 | CXCR1 (0.50) | MAOAMAOBCARM1PRMT6CXCR1 | |
| SCHEMBL4569107 | 0.80 | TLR4 (0.52) | MAOAMAOBTP53CYP3A4 | |
| SCHEMBL14771954 | 0.80 | KDM4E (0.55) | MAOAMAOBCARM1PRMT6CXCR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1521749-B8 | PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES | NOVARTIS AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| EP-1521749-B1 | PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES | NOVARTIS AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| US-7691855-B2 | Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives | NOVARTIS AG (CH) | 2010-04-06 | — | — | US | disclosed |
| US-20060106027-A1 | Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives | FURET PASCAL | 2006-05-18 | — | — | US | disclosed |
| EP-1521749-A1 | PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES | Novartis AG (CH) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004005282-A1 | PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES | NOVARTIS AG (CH) | 2004-01-15 | — | — | 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 (1 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-20060106027-A1 | Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives | MKI67, CCNI, PAH | MAOA 396/4885MAOB 319/4885CHRNB4 4770/4885 |
“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.