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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 3/20 | 0.45 |
| ▸ | PDE4B known ✓ | Q07343 | 3/20 | 0.45 |
| ▸ | PDE4C known ✓ | Q08493 | 3/20 | 0.45 |
| ▸ | PDE4D known ✓ | Q08499 | 3/20 | 0.45 |
| ▸ | PDE5A known ✓ | O76074 | 2/20 | 0.45 |
| ▸ | PDE3B known ✓ | Q13370 | 2/20 | 0.45 |
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.45 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.57 |
| ▸ | PDE1A | P54750 | 2/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | AHCY | P23526 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 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 | |
|---|---|---|---|---|
| SCHEMBL29242837 | 0.76 | YTHDC1 (0.58) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9195534 | 0.73 | FDPS (0.40) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL763699 | 0.73 | YTHDC1 (1.00) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8970970 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28251676 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL23771392 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28252117 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28252115 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20041716 | 0.71 | YTHDC1 (0.66) | YTHDC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6272991 | 0.70 | YTHDC1 (0.64) | YTHDC1PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| CN-1029968-C | Process for preparation of N-heteroaryl-purin-6-amines and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1995-10-11 | — | — | CN | disclosed |
| EP-0402752-B1 | N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments | HOECHST ROUSSEL PHARMA (US) | 1995-09-13 | — | — | EP | disclosed |
| US-5155098-A | Analgesics, anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-10-13 | — | — | US | disclosed |
| US-5017578-A | N-heteroaryl-purin-6-amines useful as analgesic and anticonvulsant agents | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-05-21 | — | — | US | disclosed |
| EP-0402752-A1 | N-heteroaryl-purin-6-amines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1990-12-19 | — | — | EP | disclosed |
| CN-1047866-A | The preparation method of N-heteroaryl-purine-6-amine and medicinal | HOECHST ROUSSEL PHARMA (US) | 1990-12-19 | — | — | CN | disclosed |