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 | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.52 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.52 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.51 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.51 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.49 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.49 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.49 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.49 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.49 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.49 |
| ▸ | HTR1F known ✓ | P30939 | 1/20 | 0.49 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.49 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.49 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.49 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.49 |
| ▸ | HTR5A known ✓ | P47898 | 1/20 | 0.49 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.49 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.49 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.52 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1100987 | 0.99 | PIK3CD (0.53) | PIK3CDPIK3R1PIK3CAPIK3CBRAB9A | |
| SCHEMBL1101138 | 0.92 | KDM4E (0.58) | PIK3CDPIK3R1PIK3CAPIK3CBRAB9A | |
| SCHEMBL2481096 | 0.91 | KDM4E (0.53) | PIK3CDPIK3R1PIK3CAPIK3CBRAB9A | |
| SCHEMBL10654773 | 0.86 | RAB9A (0.56) | RAB9AMAPTSMN1; SMN2LMNAADRB2 | |
| SCHEMBL1101107 | 0.85 | RAB9A (0.55) | RAB9AMAPTSMN1; SMN2LMNAADRB2 | |
| SCHEMBL2485756 | 0.80 | TDP1 (0.58) | RAB9AMAPTSMN1; SMN2LMNAHTR7 | |
| SCHEMBL14361045 | 0.80 | SMN1; SMN2 (0.51) | RAB9AMAPTSMN1; SMN2LMNASCN5A | |
| SCHEMBL8059724 | 0.79 | MAPT (0.68) | RAB9AMAPTSMN1; SMN2LMNAPOLB | |
| SCHEMBL16482820 | 0.79 | POLB (0.52) | RAB9AMAPTDRD1DRD4DRD5 | |
| SCHEMBL2483050 | 0.78 | TDP1 (0.64) | RAB9AMAPTSMN1; SMN2LMNAHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153791-B2 | substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-04-10 | — | — | US | claimed |
| US-20070270425-A1 | SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-22 | — | — | US | claimed |
| US-8367825-B2 | Substituted pyrimidinyl oxime kinase inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2013-02-05 | — | — | US | disclosed |
| US-20120157412-A1 | Substituted Pyrimidinyl Oxime Kinase Inhibitors | BATTISTA KATHLEEN A (US) | 2012-06-21 | — | — | US | disclosed |
| US-8153791-B2 | substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-04-10 | — | — | US | disclosed |
| US-20070270425-A1 | SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-22 | — | — | 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 (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-20120157412-A1 | Substituted Pyrimidinyl Oxime Kinase Inhibitors | MAP3K2, MAP3K1, MAP3K20 | PIK3CD 1125/4885PIK3CA 1020/4885DRD1 4800/4885 |
| US-20070270425-A1 | SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS | MAP3K2, MAP3K1, MAP3K20 | PIK3CD 1125/4885PIK3CA 1020/4885DRD1 4800/4885 |
“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.