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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 6/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | KDM6A | O15550 | 1/20 | 0.40 |
| ▸ | TET3 | O43151 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | KDM4B | O94953 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3533287 | 0.99 | KDM4E (0.45) | HTR3AKDM4ECNR2CNR1ELANE | |
| SCHEMBL3534667 | 0.87 | HTR3A (0.47) | HTR3ACNR2CNR1ELANEATM | |
| SCHEMBL7396445 | 0.83 | CNR1 (0.49) | CNR2CNR1 | |
| SCHEMBL6223291 | 0.80 | HTR3A (0.39) | HTR3ACNR2CNR1ELANE | |
| SCHEMBL8692020 | 0.79 | CNR1 (0.50) | KDM4ECNR2CNR1ATMKDM6B | |
| SCHEMBL3540199 | 0.79 | CNR1 (0.53) | HTR3ACNR2CNR1ELANE | |
| SCHEMBL28146834 | 0.78 | KDM4E (0.48) | HTR3AKDM4ECNR2CNR1ATM | |
| SCHEMBL24437278 | 0.77 | PDE6D (0.45) | KDM4ECNR2CNR1KDM6BKDM6A | |
| SCHEMBL1606716 | 0.77 | NPC1 (0.49) | KDM4ECNR2CNR1ELANEL3MBTL1 | |
| SCHEMBL27521014 | 0.77 | ELANE (0.41) | HTR3ACNR2CNR1ELANE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7683074-B2 | 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | BIOTIE THERAPIES GMBH (DE) | 2010-03-23 | — | — | US | disclosed |
| US-7419987-B2 | 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | ELBION AG (DE) | 2008-09-02 | — | — | US | disclosed |
| US-20080207680-A1 | 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | BIOTIE THERAPIES GMBH (DE) | 2008-08-28 | — | — | US | disclosed |
| US-7169787-B2 | 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same | ELBION AG (DE) | 2007-01-30 | — | — | US | disclosed |
| US-20060258700-A1 | 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | BIOTIE THERAPIES GMBH (DE) | 2006-11-16 | — | — | US | disclosed |
| US-20040106641-A1 | Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same | BIOTIE THERAPIES GMBH (DE) | 2004-06-03 | — | — | 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 (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-20040106641-A1 | Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same | PDE4A, PDE4B, PDE4C | HTR3A 862/4885KDM4E 155/4885CNR2 2555/4885 |
| US-20060258700-A1 | 7-azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | PDE4A, PDE4B, PDE3A | HTR3A 578/4885KDM4E 161/4885CNR2 3086/4885 |
| US-20080207680-A1 | 7-Azaindoles, their use as inhibitors of phosphodiesterase 4, and a method for synthesizing them | PDE4A, PDE4B, PDE7A | HTR3A 887/4885KDM4E 184/4885CNR2 2944/4885 |
“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.