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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.35 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.35 |
| ▸ | HSP90AA1 known ✓ | P07900 | 1/20 | 0.34 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.38 |
| ▸ | LMNA | P02545 | 6/20 | 0.38 |
| ▸ | SERPINH1 | P50454 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2286241 | 0.97 | MAPK1 (0.50) | MAPK1CYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL14303350 | 0.74 | SMN1; SMN2 (0.56) | MAPK1ALDH1A1KMT2APKMMAPT | |
| SCHEMBL13831900 | 0.73 | SMN1; SMN2 (0.60) | ALDH1A1KDM4EKMT2APKMMAPT | |
| SCHEMBL14303762 | 0.72 | CYP2A6 (0.42) | ALDH1A1KMT2APKMMAPTMEN1 | |
| SCHEMBL2321466 | 0.72 | LMNA (0.47) | ALDH1A1TDP1KDM4EKMT2APKM | |
| SCHEMBL25314314 | 0.72 | MAPT (0.51) | MAPK1CYP3A4ALDH1A1KDM4EKMT2A | |
| SCHEMBL2939873 | 0.72 | MAPK1 (0.50) | MAPK1CYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL12112004 | 0.72 | MAPK1 (0.50) | MAPK1CYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL9061256 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1KDM4EKMT2APKMMAPT | |
| SCHEMBL11308059 | 0.72 | ALDH1A1 (0.47) | MAPK1CYP3A4TSHRALDH1A1TDP1 |
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-7598260-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-10-06 | — | — | US | disclosed |
| EP-1392662-B1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2009-01-07 | — | — | EP | disclosed |
| US-20080039447-A1 | CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents | BRUMBY THOMAS | 2008-02-14 | — | — | US | disclosed |
| US-7291624-B2 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AG (DE) | 2007-11-06 | — | — | US | disclosed |
| US-7235561-B2 | Compound and a composition including such a compound | SCHERING AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-20060252748-A1 | Use of CDK II inhibitors for birth control | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-11-09 | — | — | US | disclosed |
| WO-2006087230-A1 | USE OF CDK II INHIBITORS FOR FERTILITY CONTROL | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-08-24 | — | — | WO | disclosed |
| US-20040224966-A1 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-11-11 | — | — | US | disclosed |
| US-20040102630-A1 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | SCHERING AG (DE) | 2004-05-27 | — | — | US | disclosed |
| EP-1392662-A1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002096888-A1 | CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-12-05 | — | — | 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 (4 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-20040102630-A1 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | CDK2, CDK1, CDK6 | GAA 1514/4885HCRTR1 3516/4885HSP90AA1 3422/4885 |
| US-20060252748-A1 | Use of CDK II inhibitors for birth control | CDK6, CDK2, CDKL2 | GAA 3146/4885HCRTR1 2680/4885HSP90AA1 3449/4885 |
| US-20040224966-A1 | CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents | CDK2, CDK1, CDK6 | GAA 1469/4885HCRTR1 3529/4885HSP90AA1 3400/4885 |
| US-20080039447-A1 | CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents | CDK2, CDK1, CDK6 | GAA 1311/4885HCRTR1 3197/4885HSP90AA1 3315/4885 |
“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.