Thymine

Thymine

SCHEMBL935833

Cc1c[nH]c(=O)[nH]c1=O.Cl

nearest known ligand 0.95

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 Thymine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 3/20 0.50
CYP19A1 known ✓ P11511 1/20 0.50
ATAD2 Q6PL18 1/20 0.95
DPYD Q12882 5/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
HTT P42858 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4C Q9H3R0 1/20 0.39
POLB P06746 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.

Compoundsimilaritytop predictedshared targets
Thymine SCHEMBL5235 0.97
Thymine SCHEMBL15323914 0.97 ATAD2 (1.00) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL750450 0.97 ATAD2 (1.00) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL17201833 0.97 ATAD2 (1.00) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL29669526 0.97
Thymine SCHEMBL2724033 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL3500839 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL8649294 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL4811815 0.95
Thymine SCHEMBL31403209 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1364973-B1 FUNCTIONAL SUBSTANCES DERIVED FROM OLIGOOLEFINS HAVING FUNCTIONAL GROUPS AT THE ENDS SAN EI KOUGYOU CORP (JP) 2010-11-17 EP claimed
US-7229957-B2 Functional substances derived from oligoolefins having functional groups at the ends SAN-EL KOUGYOU CORPORATION (JP) 2007-06-12 US claimed
EP-1790669-A2 Functional substances derived from oligoolefins having functional groups at the ends San-Ei Kougyou Corporation (JP) 2007-05-30 EP claimed
US-20060211595-A1 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION 2006-09-21 US claimed
US-20040022757-A1 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION (JP) 2004-02-05 US claimed
EP-1364973-A1 FUNCTIONAL SUBSTANCES DERIVED FROM OLIGOOLEFINS HAVING FUNCTIONAL GROUPS AT THE ENDS San-Ei Kougyou Corporation (JP) 2003-11-26 EP claimed
WO-1995011205-A1 PREPARATIONS PROVIDING A NUTRIENT SOURCE FOR PLANTS AND A PROCESS FOR MAKING SUCH PREPARATIONS PONTON KFT. (HU) 1995-04-27 WO claimed
US-10272101-B2 Glucan preparations BIOTHERA INC. (US) 2019-04-30 US disclosed
EP-3072518-B1 B-GLUCAN TREATMENT OF UPPER RESPIRATORY TRACT INFECTION SYMPTOMS AND PSYCHOLOGICAL WELL-BEING BIOTHERA INC (US) 2018-05-09 EP disclosed
US-20170304352-A1 GLUCAN PREPARATIONS HIBERCELL, INC. 2017-10-26 US disclosed
EP-2461870-B1 COMPOSITION COMPRISING BETA-GLUCAN AND AN EGF-R ANTIBODY OR AN EGF-R ANTAGONIST FOR USE IN THE TREATMENT OF KRAS-MUTATED TUMORS BIOTHERA INC (US) 2017-09-06 EP disclosed
US-9610303-B2 Glucan preparations BIOTHERA, INC. (US) 2017-04-04 US disclosed
EP-2032180-B1 GLUCAN PREPARATIONS BIOTHERA INC (US) 2017-03-15 EP disclosed
US-7229957-B2 Functional substances derived from oligoolefins having functional groups at the ends SAN-EL KOUGYOU CORPORATION (JP) 2007-06-12 US disclosed
EP-1790669-A2 Functional substances derived from oligoolefins having functional groups at the ends San-Ei Kougyou Corporation (JP) 2007-05-30 EP disclosed
US-20070117738-A1 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION 2007-05-24 US disclosed
US-7125834-B2 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION (JP) 2006-10-24 US disclosed
US-20060211595-A1 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION 2006-09-21 US disclosed
US-20040022757-A1 Functional substances derived from oligoolefins having functional groups at the ends SAN-EI KOUGYOU CORPORATION (JP) 2004-02-05 US disclosed
EP-1364973-A1 FUNCTIONAL SUBSTANCES DERIVED FROM OLIGOOLEFINS HAVING FUNCTIONAL GROUPS AT THE ENDS San-Ei Kougyou Corporation (JP) 2003-11-26 EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10272101-B2 Glucan preparations MANBA, DDOST, GYS2 GAA 40/4885CYP19A1 3924/4885ATAD2 3725/4885
US-20170304352-A1 GLUCAN PREPARATIONS MANBA, DDOST, GYS2 GAA 40/4885CYP19A1 3924/4885ATAD2 3725/4885
US-20040022757-A1 Functional substances derived from oligoolefins having functional groups at the ends PFAS, ELOVL1, FABP4 GAA 2914/4885CYP19A1 2214/4885ATAD2 4150/4885

“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.