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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.37 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.36 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ROS1 | P08922 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4807855 | 0.99 | CYP11B1 (0.41) | CYP11B1CYP11B2CASP3L3MBTL1KDM4E | |
| SCHEMBL4811504 | 0.81 | CYP11B1 (0.43) | CYP11B1CYP11B2KDM4ETSHRHTT | |
| Lithium SCHEMBL5930703 | 0.80 | AURKA (0.40) | KDM4ERXFP1HTTSMN1; SMN2ROS1 | |
| SCHEMBL5930695 | 0.80 | AURKA (0.40) | KDM4ERXFP1HTTSMN1; SMN2ROS1 | |
| SCHEMBL4816213 | 0.79 | CYP11B1 (0.39) | CYP11B1CYP11B2KDM4EALDH1A1GAA | |
| SCHEMBL4811416 | 0.79 | SLC22A12 (0.43) | CYP11B1CYP11B2 | |
| Lithium Ion SCHEMBL5930697 | 0.79 | ROS1 (0.36) | KDM4ERXFP1ROS1RPS6KB1EGFR | |
| SCHEMBL9128168 | 0.79 | MTNR1A (0.53) | L3MBTL1KDM4EMTNR1AMTNR1B | |
| SCHEMBL27476951 | 0.77 | ALDH1A1 (0.38) | L3MBTL1KDM4ETP53HSD17B10TSHR | |
| SCHEMBL4814030 | 0.76 | GABRA1 (0.40) | CYP11B1CYP11B2KDM4EALDH1A1GAA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7361661-B2 | 8-quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2008-04-22 | — | — | US | disclosed |
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | BHALAY GURDIP | 2006-08-03 | — | — | US | disclosed |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2006-05-18 | — | — | US | disclosed |
| US-6919337-B2 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | NOVARTIS, AG (CH) | 2005-07-19 | — | — | US | disclosed |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | NOVARTIS AG (CH) | 2004-02-26 | — | — | US | disclosed |
| EP-1268480-B1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | BHALAY GURDIP (GB) | 2003-09-11 | — | — | US | disclosed |
| US-20030114469-A1 | Combinations | COHEN DAVID SAUL (US) | 2003-06-19 | — | — | US | disclosed |
| EP-1268480-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | Novartis AG (CH) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001077110-A1 | 8-QUINOLINXANTHINE AND 8-ISOQUINOLINXANTHINE DERIVATIVES AS PDE 5 INHIBITORS | NOVARTIS AG (CH) | 2001-10-18 | — | — | 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 (5 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-20030114469-A1 | Combinations | GPR119, SLC5A1, HMGCR | EGFR 2040/4885GAA 258/4885GLA 1529/4885 |
| US-20060106214-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | EGFR 4045/4885GAA 1314/4885GLA 1928/4885 |
| US-20040038996-A1 | 8-Quinolinxanthine and 8-isoquinolinxant hine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | EGFR 4071/4885GAA 881/4885GLA 1228/4885 |
| US-20060173181-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as PDE 5 inhibitors | PDE5A, PDE3A, PDE2A | EGFR 4093/4885GAA 1283/4885GLA 1813/4885 |
| US-20030171384-A1 | 8-Quinolinxanthine and 8-isoquinolinxanthine derivatives as pde 5 inhibitors | PDE5A, PDE3A, PDE2A | EGFR 4164/4885GAA 976/4885GLA 1275/4885 |
“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.