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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A known ✓ | Q13946 | 9/20 | 0.57 |
| ▸ | PDE7B known ✓ | Q9NP56 | 4/20 | 0.56 |
| ▸ | PDE8A known ✓ | O60658 | 2/20 | 0.54 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.41 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 known ✓ | P23458 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL173189 | 0.99 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| Hydrochloric Acid SCHEMBL3752903 | 0.89 | PDE7A (0.56) | PDE7APDE7BPDE8ASIGMAR1ALDH1A1 | |
| SCHEMBL10321116 | 0.89 | PDE7A (0.58) | PDE7APDE7BPDE8ASIGMAR1ALDH1A1 | |
| SCHEMBL32681343 | 0.88 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| SCHEMBL99845 | 0.88 | PDE7A (0.62) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| SCHEMBL582861 | 0.88 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| SCHEMBL173197 | 0.88 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ALDH1A1 | |
| SCHEMBL583273 | 0.88 | PDE7A (0.71) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| SCHEMBL582486 | 0.87 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ESR1 | |
| SCHEMBL582487 | 0.87 | PDE7A (0.57) | PDE7APDE7BPDE8ASIGMAR1ESR1 |
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-8846654-B2 | Therapeutic applications in the cardiovascular field of quinazolinedione derivatives | SANOFI (FR) | 2014-09-30 | — | — | US | disclosed |
| US-8748441-B2 | Therapeutic uses of quinazolinedione derivatives | SANOFI (FR) | 2014-06-10 | — | — | US | disclosed |
| US-8242126-B2 | Quinazolinedione derivatives, preparation thereof and therapeutic uses thereof | SANOFI (FR) | 2012-08-14 | — | — | US | disclosed |
| US-20120184522-A1 | THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES | SANOFI (FR) | 2012-07-19 | — | — | US | disclosed |
| US-20120058987-A1 | THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES | SANOFI (FR) | 2012-03-08 | — | — | US | disclosed |
| US-20100298298-A1 | QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF | SANOFI-AVENTIS (FR) | 2010-11-25 | — | — | 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-20100298298-A1 | QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF | PPARD, DPP4, NDUFB7 | PDE7A 941/4885PDE7B 1077/4885PDE8A 2165/4885 |
| US-20120184522-A1 | THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES | FABP3, SLC5A1, SLC5A2 | PDE7A 1769/4885PDE7B 937/4885PDE8A 2886/4885 |
| US-20120058987-A1 | THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES | SLC5A2, SLC5A1, PPARD | PDE7A 1520/4885PDE7B 1364/4885PDE8A 2069/4885 |
“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.