Adenine

Adenine

SCHEMBL2428541

Cl.Cl.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12.O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Adenine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 known ✓ P35462 1/20 0.45
RET known ✓ P07949 1/20 0.36
PNP known ✓ P00491 1/20 0.32
PARP1 known ✓ P09874 1/20 0.32
PRKCI known ✓ P41743 1/20 0.31
PI4KA P42356 7/20 0.48
PI4K2B Q8TCG2 7/20 0.48
PI4K2A Q9BTU6 7/20 0.48
PI4KB Q9UBF8 7/20 0.48
XDH P47989 2/20 0.45
LRRK2 Q5S007 2/20 0.45
LMNA P02545 1/20 0.45
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ERAP1 Q9NZ08 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34
GDA Q9Y2T3 2/20 0.32
BTK Q06187 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
Adenine SCHEMBL2428538 1.00 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL680904 0.98 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL2772644 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL7204509 0.98 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL2895675 0.98 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3416954 0.96 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL3413247 0.96 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL8110 0.96 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL5601016 0.93 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH
Adenine SCHEMBL691914 0.93 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBXDH

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542591-B1 SILYL-DERIVATIVES OF POLYSACCHARIDES SILDEHA SWISS SA (CH) 2019-10-16 EP disclosed
US-9598505-B2 Silyl-derivatives of polysaccharides SILDEHA SIXASS S.A. (CH) 2017-03-21 US disclosed
EP-1525224-B1 HYALURONIC ACID DERIVATIVES SILDEHA SWISS S A (CH) 2015-07-01 EP disclosed
US-20130029934-A1 SILYL-DERIVATIVES OF POLYSACCHARIDES SILDEHA SWISS S.A. (CH) 2013-01-31 US disclosed
EP-2542591-A2 SILYL-DERIVATIVES OF POLYSACCHARIDES Jasper LLC (US) 2013-01-09 EP disclosed
WO-2011107866-A2 SILYL-DERIVATIVES OF POLYSACCHARIDES JASPER LLC (US) 2011-09-09 WO disclosed
US-7662800-B2 Hyaluronic acid derivatives JASPER LTD. LIABILITY CO. (US) 2010-02-16 US disclosed
US-20050239727-A1 for use in cosmetics, drugs SILDEHA SWISS SA (CH) 2005-10-27 US disclosed
EP-1525224-A1 HYALURONIC ACID DERIVATIVES Jasper Ltd. Liability Co. (US) 2005-04-27 EP disclosed
WO-2004013182-A1 HYALURONIC ACID DERIVATIVES JASPER LTD LIABILITY CO. (US) 2004-02-12 WO disclosed
US-4216317-A Process for preparing adenine MERCK & CO., INC. (US) 1980-08-05 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 (2 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239727-A1 for use in cosmetics, drugs HINT1, NUDT1, NNT DRD3 1651/4885RET 2463/4885PNP 5/4885
US-20130029934-A1 SILYL-DERIVATIVES OF POLYSACCHARIDES FUT5, CSGALNACT1, FUT6 DRD3 2128/4885RET 4850/4885PNP 4095/4885

“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.