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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.44 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.40 |
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.38 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4175131 | 0.99 | KDM1A (0.47) | KDM1APDE4AMEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL2041377 | 0.90 | KDM1A (0.46) | KDM1APDE4AMEN1KMT2AALDH1A1 | |
| SCHEMBL18423219 | 0.86 | KDM1A (0.39) | KDM1APDE4ADPP4PDE4BPDE4C | |
| SCHEMBL4259946 | 0.81 | KDM1A (0.51) | KDM1APDE4AMEN1KMT2AMAPT | |
| SCHEMBL5054677 | 0.81 | KDM1A (0.51) | KDM1APDE4AMEN1KMT2AMAPT | |
| SCHEMBL4259945 | 0.81 | KDM1A (0.51) | KDM1APDE4AMEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL6438947 | 0.77 | DPP4 (0.49) | KDM1APDE4AMEN1KMT2ADPP4 | |
| Hydrochloric Acid SCHEMBL6438943 | 0.77 | DPP4 (0.49) | KDM1APDE4AMEN1KMT2ADPP4 | |
| Hydrochloric Acid SCHEMBL6438950 | 0.77 | DPP4 (0.49) | KDM1APDE4AMEN1KMT2ADPP4 | |
| SCHEMBL1826282 | 0.77 | KDM1A (0.47) | KDM1APDE4AMEN1KMT2AMAPT |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2813509-B1 | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives | ASTRAZENECA AB (SE) | 2017-02-01 | — | — | EP | disclosed |
| EP-2721036-B1 | NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS | TAKEDA GMBH (DE) | 2015-07-22 | — | — | EP | disclosed |
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | disclosed |
| EP-2813509-A1 | 3,4,4a,10b-tetrahydro-1h-thiopyrano-[4,3-c]isoquinoline derivatives | Takeda GmbH (DE) | 2014-12-17 | — | — | EP | disclosed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20140113877-A1 | NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C] ISOQUINOLINE COMPOUNDS | TAKEDA GMBH (DE) | 2014-04-24 | — | — | US | disclosed |
| EP-2721036-A1 | NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS | Takeda GmbH (DE) | 2014-04-23 | — | — | EP | disclosed |
| WO-2012171903-A1 | NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C]ISOQUINOLINE COMPOUNDS | NYCOMED GMBH (DE) | 2012-12-20 | — | — | WO | disclosed |
| US-8324404-B2 | 3-thia-10-aza-phenanthrene derivatives | NYCOMED GMBH (DE) | 2012-12-04 | — | — | US | disclosed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | disclosed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |
| US-20090239895-A1 | Novel 3-thia-10-aza-phenanthrene derivatives | NYCOMED GMBH (DE) | 2009-09-24 | — | — | US | disclosed |
| US-7589205-B2 | phosphodiesterase inhibitor; antiinflammatory agent; 3-thia-10-aza-phenanthrenes and iintermediates 3-(3,4-dialkoxy-phenyl)-tetrahydro-thiopyran-4-one and 3-(3,4-dialkoxy-phenyl)-1,1-dioxo-hexahydro-1-thiopyran-4-ylamine, useful for its preparation | NYCOMED GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-20080103168-A1 | Novel 3-Thia-10-Aza-Phenanthrene Derivatives | ATLANA PHARMA AG (DE) | 2008-05-01 | — | — | US | disclosed |
| EP-1791847-A2 | NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES | Altana Pharma AG (DE) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006027345-A2 | NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES | ALTANA PHARMA AG (DE) | 2006-03-16 | — | — | 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-20080103168-A1 | Novel 3-Thia-10-Aza-Phenanthrene Derivatives | PDE4A, PDE4B, PDE3A | PDE4A 1/4885GAA 1655/4885DPP4 30/4885 |
| US-20140113877-A1 | NOVEL 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO[4,3-C] ISOQUINOLINE COMPOUNDS | PDE4A, PDE4B, PDE3B | PDE4A 1/4885GAA 1398/4885DPP4 60/4885 |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | PDE4A, PDE4B, PDE3B | PDE4A 1/4885GAA 912/4885DPP4 29/4885 |
| US-20090239895-A1 | Novel 3-thia-10-aza-phenanthrene derivatives | PDE4A, PDE4B, PDE3A | PDE4A 1/4885GAA 1655/4885DPP4 30/4885 |
“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.