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 | |
|---|---|---|---|---|
| ▸ | PDE5A known ✓ | O76074 | 1/20 | 0.38 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.36 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.35 |
| ▸ | NTRK1 known ✓ | P04629 | 1/20 | 0.34 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.44 |
| ▸ | PDE6D | O43924 | 1/20 | 0.38 |
| ▸ | PDE6A | P16499 | 1/20 | 0.38 |
| ▸ | PDE6G | P18545 | 1/20 | 0.38 |
| ▸ | PDE6B | P35913 | 1/20 | 0.38 |
| ▸ | PDE6C | P51160 | 1/20 | 0.38 |
| ▸ | PDE6H | Q13956 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | BCL6 | P41182 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13827579 | 0.98 | MAPK1 (0.46) | MAPK1LRRK2PDE6DPDE5APDE6A | |
| SCHEMBL13827575 | 0.83 | KDM4C (0.45) | MAPK1LRRK2 | |
| SCHEMBL13827577 | 0.81 | KDM4C (0.47) | MAPK1LRRK2 | |
| SCHEMBL28643622 | 0.78 | MAPK1 (0.40) | MAPK1LRRK2PDE6DPDE5APDE6A | |
| SCHEMBL16220774 | 0.72 | LRRK2 (0.48) | MAPK1LRRK2PDE6DPDE5APDE6A | |
| SCHEMBL19296055 | 0.69 | DAO (0.47) | LRRK2 | |
| SCHEMBL1370164 | 0.68 | MAPK1 (0.49) | MAPK1LRRK2PDE4BMAPK8MAPK9 | |
| SCHEMBL1372875 | 0.68 | MAPK1 (0.49) | MAPK1LRRK2PIK3CAPIM1 | |
| SCHEMBL22572898 | 0.67 | MAPK1 (0.51) | MAPK1LRRK2IRAK4OPRK1 | |
| SCHEMBL22573167 | 0.67 | MAPK1 (0.47) | MAPK1LRRK2PDE6DPDE5APDE6A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115136-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-25 | — | — | US | disclosed |
| US-8921379-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-30 | — | — | US | disclosed |
| US-20140046056-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-02-13 | — | — | US | disclosed |
| US-8592431-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| EP-2384327-B1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2013-07-31 | — | — | EP | disclosed |
| US-8283353-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-09 | — | — | US | disclosed |
| US-20110294832-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-12-01 | — | — | US | disclosed |
| US-20110288087-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-11-24 | — | — | US | disclosed |
| EP-2384327-A1 | FUSED RING COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |
| US-20100197683-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-08-05 | — | — | 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 (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-20140046056-A1 | FUSED RING COMPOUND AND USE THEREOF | PPARA, PPARG, AGTR2 | PDE5A 1606/4885PIK3CA 2162/4885PDE4B 1596/4885 |
| US-20110288087-A1 | FUSED RING COMPOUND AND USE THEREOF | PPARA, PPARG, AGTR2 | PDE5A 1606/4885PIK3CA 2162/4885PDE4B 1596/4885 |
| US-20110294832-A1 | FUSED RING COMPOUND AND USE THEREOF | PPARA, PPARG, AGTR2 | PDE5A 1606/4885PIK3CA 2162/4885PDE4B 1596/4885 |
| US-20100197683-A1 | FUSED RING COMPOUND AND USE THEREOF | PPARA, PPARG, AGTR2 | PDE5A 1606/4885PIK3CA 2162/4885PDE4B 1596/4885 |
“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.