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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.44 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.39 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.34 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 SCHEMBL30818252 | 1.00 | CYP3A4 (0.56) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL4856943 | 0.97 | CYP3A4 (0.59) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL29356274 | 0.97 | CYP3A4 (0.59) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL110840 | 0.97 | CYP3A4 (0.59) | CYP3A4MAPK1CA1CA2TSHR | |
| Propane SCHEMBL10791092 | 0.91 | MAPK1 (0.48) | CYP3A4MAPK1CA1CA2TSHR | |
| Acetic Acid SCHEMBL9775966 | 0.85 | CYP3A4 (0.46) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL28107270 | 0.82 | TSHR (0.47) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL26099095 | 0.81 | MAPK1 (0.50) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL10703972 | 0.79 | CA1 (0.48) | CYP3A4MAPK1CA1CA2TSHR | |
| SCHEMBL3945285 | 0.78 | CYP3A4 (0.39) | CYP3A4MAPK1CA1CA2TSHR |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103121972-B | As the pyrimidine urea derivatives of kinase inhibitor | NOVARTIS AG (CH) | 2015-07-29 | — | — | CN | disclosed |
| EP-2418205-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-8552002-B2 | 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-(2,6-dimethyl-pyridin-3-ylamino)-pyrimidin-4-yl]-1-methyl-urea; 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-methyl-1-{6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-urea | NOVARTIS AG (CH) | 2013-10-08 | — | — | US | disclosed |
| EP-2409969-B1 | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2013-07-24 | — | — | EP | disclosed |
| US-20130012704-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | DING QIANG (CN) | 2013-01-10 | — | — | US | disclosed |
| US-20130012476-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2013-01-10 | — | — | US | disclosed |
| EP-2418205-A1 | Pyrimidine urea derivatives as kinase inhibitors | Novartis AG (CH) | 2012-02-15 | — | — | EP | disclosed |
| EP-2409969-A1 | Pyrimidine urea derivatives as kinase inhibitors | Novartis AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| EP-1761505-B1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2011-08-17 | — | — | EP | disclosed |
| US-20090137804-A1 | Compounds and Compositions as Protein Kinase Inhibitors | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2009-05-28 | — | — | US | disclosed |
| WO-2006000420-A1 | PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-01-05 | — | — | WO | disclosed |
| EP-1453476-A1 | NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-09-08 | — | — | EP | disclosed |
| EP-1239818-B1 | ENZYMATIC DYE | HENKEL KGAA (DE) | 2004-06-09 | — | — | EP | disclosed |
| WO-2003053385-A1 | NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-07-03 | — | — | WO | disclosed |
| EP-0613366-B1 | 5,6-DIHYDROXYINDOLINE AS ADDITIVES FOR HAIR-DYEING PREPARATIONS | HENKEL KGAA (DE) | 1995-12-20 | — | — | EP | disclosed |
| EP-0539423-B1 | HAIR DYEING COMPOSITION | HENKEL KGAA (DE) | 1994-12-21 | — | — | EP | disclosed |
| EP-0039034-B1 | COUPLING COMPONENTS FOR THE OXIDATIVE DYEING OF HAIR AND THEIR USE, AS WELL AS COMPOSITIONS CONTAINING THEM | Henkel Kommanditgesellschaft auf Aktien (DE) | 1983-12-28 | — | — | EP | disclosed |
| US-4402699-A | 2,4-DICHLORO-3-ALKYLIDINE-AMINOPHENOLS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1983-09-06 | — | — | US | disclosed |
| EP-0039034-A1 | Coupling components for the oxidative dyeing of hair and their use, as well as compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1981-11-04 | — | — | EP | disclosed |
| US-4129414-A | Oxidation hair colorants containing water-soluble polyhalogen 3-aminophenols as couplers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 1978-12-12 | — | — | 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 (3 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-20130012476-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K1, CDK1 | CA2 1754/4885GAA 1213/4885ESR1 1302/4885 |
| US-20130012704-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | MAP3K20, MAP3K1, CDK1 | CA2 1754/4885GAA 1213/4885ESR1 1302/4885 |
| US-20090137804-A1 | Compounds and Compositions as Protein Kinase Inhibitors | MAP3K20, MAP3K1, CDK1 | CA2 1754/4885GAA 1213/4885ESR1 1302/4885 |
“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.