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 | 2/20 | 0.47 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12922512 | 0.98 | HPGD (0.51) | ALDH1A1HPGDRAD52PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL11632488 | 0.89 | PRSS1 (0.47) | ALDH1A1HPGDPRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL7960433 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HPGDRAD52PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL6287820 | 0.86 | ALDH1A1 (0.66) | ALDH1A1HPGDRAD52PRSS1PRSS2 | |
| SCHEMBL11630313 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HPGDRAD52PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL2769841 | 0.83 | KDM4E (0.45) | ALDH1A1HPGDRAD52GAAKDM4E | |
| SCHEMBL13592322 | 0.82 | KDM4E (0.55) | ALDH1A1HPGDRAD52GAAKDM4E | |
| SCHEMBL8241976 | 0.81 | KDM4E (0.46) | ALDH1A1HPGDRAD52GAAKDM4E | |
| Hydrochloric Acid SCHEMBL22265067 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1HPGDPRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL29362098 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1HPGDPRSS1PRSS2PRSS3 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130059844-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2013-03-07 | — | — | US | disclosed |
| EP-2295436-A1 | 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors | Bayer Schering Pharma AG (DE) | 2011-03-16 | — | — | EP | disclosed |
| US-20110009367-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-13 | — | — | US | disclosed |
| US-7704999-B2 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-27 | — | — | US | disclosed |
| US-7696206-B2 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-13 | — | — | US | disclosed |
| US-20100016323-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-01-21 | — | — | US | disclosed |
| US-20080113972-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2008-05-15 | — | — | US | disclosed |
| US-7314871-B2 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension | BAYER AKTIENGESELLSCHAFT (DE) | 2008-01-01 | — | — | US | disclosed |
| US-7122540-B2 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER HEALTHCARE AG (DE) | 2006-10-17 | — | — | US | disclosed |
| US-20060189615-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2006-08-24 | — | — | US | disclosed |
| US-6890922-B2 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER HEALTHCARE AG (DE) | 2005-05-10 | — | — | US | disclosed |
| US-20050070541-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2005-03-31 | — | — | US | disclosed |
| US-20040067945-A1 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2004-04-08 | — | — | US | disclosed |
| US-6566360-B1 | Administering 2-phenyl-substituted imidazotriazinones having short, unbranched alkyl radicals in the 9-position for therapy of hypertrophy of the prostate, incontinence or female sexual dysfunction in mammals | BAYER AKTIENGESELLSCHAFT (DE) | 2003-05-20 | — | — | US | disclosed |
| US-6362178-B1 | TREATMENT OF CARDIOVASCULAR DIORDERS, CEREBROVASCULAR DISORDERS, UROGENITAL DISORDERS AND ERECTILE DYSFUNCTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-26 | — | — | US | disclosed |
| EP-1174431-A2 | 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors | Bayer Aktiengesellschaft (DE) | 2002-01-23 | — | — | EP | disclosed |
| EP-1049695-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | BAYER AG (DE) | 2000-11-08 | — | — | EP | disclosed |
| WO-1999024433-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-05-20 | — | — | 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 (7 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-20100016323-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | PDE3A, PDE2A, PDE3B | GAA 533/4885CA2 246/4885ALDH1A1 323/4885 |
| US-20080113972-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
| US-20110009367-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
| US-20130059844-A1 | 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
| US-20050070541-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
| US-20060189615-A1 | 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
| US-20040067945-A1 | 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors | PDE3B, PDE3A, PDE2A | GAA 664/4885CA2 1494/4885ALDH1A1 670/4885 |
“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.