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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.39 |
| ▸ | FLT1 known ✓ | P17948 | 8/20 | 0.37 |
| ▸ | KDR known ✓ | P35968 | 7/20 | 0.37 |
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1388130 | 0.99 | PDE10A (0.52) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL1388251 | 0.89 | PDE10A (0.51) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL8978410 | 0.86 | PDE10A (0.42) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL8519428 | 0.85 | PDE10A (0.40) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7022609 | 0.84 | PDE10A (0.43) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| SCHEMBL1388150 | 0.83 | PDE10A (0.44) | PDE10ACHRM3PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7031819 | 0.81 | PDE10A (0.39) | PDE10APDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL1388275 | 0.81 | PDE10A (0.38) | PDE10ATMIGD3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL1387911 | 0.80 | PDE10A (0.40) | PDE10AKDM4EHPGDTMIGD3ADORA2A | |
| Hydrochloric Acid SCHEMBL7025802 | 0.80 | CTSL (0.40) | PDE10ALMNATMIGD3ADORA2AADORA1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912575-B1 | PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY | EURO CELTIQUE SA (LU) | 2005-02-02 | — | — | EP | disclosed |
| EP-0916673-B1 | 6-Amino purine derivatives having PDE-IV inhibition activity | EURO CELTIQUE SA (LU) | 2003-01-29 | — | — | 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 |
| 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-6310205-B1 | Hypoxathine compounds | EURO-CELTIQUE, S.A. (LU) | 2001-10-30 | — | — | US | disclosed |
| US-6294541-B1 | ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES | EURO-CELTIQUE S.A. (LU) | 2001-09-25 | — | — | US | disclosed |
| EP-0912575-A4 | IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY | EURO CELTIQUE SA (LU) | 2001-04-25 | — | — | EP | 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-0916673-A1 | 6-Amino purine derivatives having PDE-IV inhibition activity | Euroceltique S.A. (LU) | 1999-05-19 | — | — | EP | 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-0912575-A1 | IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY | Euro-Celtique S.A. (LU) | 1999-05-06 | — | — | EP | disclosed |
| US-5864037-A | Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity | EURO-CELTIQUE, S.A. (LU) | 1999-01-26 | — | — | US | disclosed |
| WO-1997046561-A1 | IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY | EURO-CELTIQUE, S.A. (LU) | 1997-12-11 | — | — | WO | disclosed |
| WO-1995000516-A1 | NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY | EURO-CELTIQUE S.A. (LU) | 1995-01-05 | — | — | WO | disclosed |