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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 9/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388038 | 0.99 | ADORA2A (0.41) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7382272 | 0.94 | CTSL (0.38) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| SCHEMBL1388168 | 0.93 | CTSL (0.39) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| SCHEMBL1388188 | 0.90 | ADORA2A (0.39) | ADORA2ALMNAALDH1A1KMT2ACTSL | |
| SCHEMBL8393571 | 0.82 | PDE10A (0.36) | ADORA2ALMNACYP1A2TSHRCTSL | |
| Hydrochloric Acid SCHEMBL7327162 | 0.82 | ALDH1A1 (0.39) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| SCHEMBL1387975 | 0.80 | ALDH1A1 (0.39) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| SCHEMBL6672679 | 0.76 | LMNA (0.46) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| SCHEMBL6673899 | 0.76 | ADORA2A (0.44) | ADORA2ALMNACYP1A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7740547 | 0.76 | KCNH2 (0.42) | LMNACYP1A2TSHRALDH1A1POLB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1169321-A4 | PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY | EURO CELTIQUE SA (LU) | 2002-10-30 | — | — | EP | disclosed |
| US-6413975-B1 | DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA | EURO-CELTIQUE, S.A. (LU) | 2002-07-02 | — | — | US | disclosed |
| EP-1169321-A2 | PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY | Euro-Celtique S.A. (LU) | 2002-01-09 | — | — | EP | disclosed |
| US-6319928-B1 | ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY | EURO-CELTIQUE, S.A. (LU) | 2001-11-20 | — | — | US | disclosed |
| US-6294541-B1 | ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES | EURO-CELTIQUE S.A. (LU) | 2001-09-25 | — | — | US | disclosed |
| WO-2000059449-A2 | PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY | EURO-CELTIQUE S.A. (LU) | 2000-10-12 | — | — | WO | disclosed |
| CN-1045778-C | Novel chemical compounds having PDE-IV inhibition activity | EURO CELTIQUE SA (LU) | 1999-10-20 | — | — | CN | disclosed |
| US-5939422-A | AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE | EURO-CELTIQUE, S.A. (LU) | 1999-08-17 | — | — | US | disclosed |
| EP-0916672-A1 | 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates | Euroceltique S.A. (LU) | 1999-05-19 | — | — | EP | disclosed |
| EP-0916673-A1 | 6-Amino purine derivatives having PDE-IV inhibition activity | Euroceltique S.A. (LU) | 1999-05-19 | — | — | EP | disclosed |
| CN-1125445-A | Novel compounds having P.DE-IV inhibitory activity | EURO CELTIQUE SA (LU) | 1996-06-26 | — | — | CN | disclosed |
| EP-0705265-A1 | NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY | Euroceltique S.A. (LU) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000516-A1 | NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY | EURO-CELTIQUE S.A. (LU) | 1995-01-05 | — | — | WO | disclosed |