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 | |
|---|---|---|---|---|
| ▸ | LCK known ✓ | P06239 | 4/20 | 0.43 |
| ▸ | MAPK14 known ✓ | Q16539 | 2/20 | 0.43 |
| ▸ | CDK6 known ✓ | Q00534 | 2/20 | 0.43 |
| ▸ | CDK4 known ✓ | P11802 | 1/20 | 0.43 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.42 |
| ▸ | PDE5A known ✓ | O76074 | 1/20 | 0.42 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.41 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.40 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.40 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.40 |
| ▸ | FGFR1 known ✓ | P11362 | 1/20 | 0.40 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 10/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.43 |
| ▸ | CCND3 | P30281 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10145847 | 0.99 | CDK1 (0.48) | CDK1CDK2CCNA2CCNA1LCK | |
| SCHEMBL542209 | 0.87 | CDK1 (0.52) | CDK1CDK2CCNA2CCNA1LCK | |
| SCHEMBL12796227 | 0.83 | LRRK2 (0.48) | CDK1CDK2CCNA2CCNA1TYRO3 | |
| SCHEMBL3770097 | 0.82 | CDK2 (0.46) | CDK1CDK2CCNE1CDK4CCND1 | |
| SCHEMBL12796044 | 0.82 | HDAC3 (0.49) | HDAC1MAPK1 | |
| SCHEMBL28945865 | 0.82 | CDK2 (0.45) | CDK1CDK2CCNA2CCNA1LCK | |
| SCHEMBL28945862 | 0.80 | CDK1 (0.46) | CDK1CDK2CCNA2CCNA1LCK | |
| SCHEMBL15397162 | 0.78 | CNR2 (0.46) | HDAC1MAPK1 | |
| SCHEMBL1587867 | 0.78 | CNR2 (0.45) | HDAC1 | |
| SCHEMBL1587367 | 0.78 | CNR2 (0.45) | HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130310373-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-11-21 | — | — | US | disclosed |
| US-8524727-B2 | Pyrimidine compound | ASTELLAS PHARMA INC. (JP) | 2013-09-03 | — | — | US | disclosed |
| EP-2415765-A1 | PYRIMIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-20110053912-A1 | PYRIMIDINE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2011-03-03 | — | — | 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-20110053912-A1 | PYRIMIDINE COMPOUND | CNR2, CNR1, P2RY2 | LCK 849/4885MAPK14 2308/4885CDK6 438/4885 |
| US-20130310373-A1 | PYRIMIDINE COMPOUND | CNR2, CNR1, P2RY2 | LCK 826/4885MAPK14 2547/4885CDK6 406/4885 |
“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.