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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.58 |
| ▸ | PDE4B known ✓ | Q07343 | 5/20 | 0.50 |
| ▸ | HCRTR1 known ✓ | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 known ✓ | O43614 | 1/20 | 0.43 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7917989 | 0.99 | PDE4D (0.59) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| Hydrochloric Acid SCHEMBL3785822 | 0.94 | PDE4D (0.55) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| SCHEMBL10441863 | 0.93 | PDE4D (0.56) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| Hydrochloric Acid SCHEMBL3785915 | 0.90 | RORC (0.47) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| SCHEMBL8063552 | 0.89 | RORC (0.48) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| SCHEMBL3791685 | 0.87 | PDE4D (0.54) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| Hydrochloric Acid SCHEMBL3795731 | 0.84 | PDE4D (0.55) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| Hydrochloric Acid SCHEMBL3790284 | 0.84 | PDE4D (0.41) | PDE4DPDE4BHCRTR1HCRTR2CTSA | |
| SCHEMBL3788986 | 0.84 | PDE4D (0.58) | PDE4DPDE4BCTSANPC1RAB9A | |
| SCHEMBL3795733 | 0.83 | PDE4D (0.56) | PDE4DPDE4BHCRTR1HCRTR2CTSA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140301999-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | DECODE GENETICS EHF (IS) | 2014-10-09 | — | — | US | disclosed |
| US-8791267-B2 | Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders | DECODE GENETICS EHF (IS) | 2014-07-29 | — | — | US | disclosed |
| EP-2674417-A2 | Biaryl PDE4 inhibitors for treating inflammation | Decode Genetics EHF (IS) | 2013-12-18 | — | — | EP | disclosed |
| US-20120183522-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | DECODE GENETICS EHF (IS) | 2012-07-19 | — | — | US | disclosed |
| EP-2222638-A2 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION | Decode Genetics EHF (IS) | 2010-09-01 | — | — | EP | disclosed |
| US-20090324569-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | DECODE GENETICS EHF (IS) | 2009-12-31 | — | — | US | disclosed |
| WO-2009067600-A2 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION | DECODE GENETICS EHF (IS) | 2009-05-28 | — | — | 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 (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-20120183522-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | PDE4A, PDE4B, PDE3B | PDE4D 7/4885PDE4B 2/4885HCRTR1 2509/4885 |
| US-20140301999-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | PDE4A, PDE4B, PDE3B | PDE4D 7/4885PDE4B 2/4885HCRTR1 2509/4885 |
| US-20090324569-A1 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS | PDE4A, PDE4B, PDE3B | PDE4D 7/4885PDE4B 2/4885HCRTR1 2509/4885 |
“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.