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 SCHEMBL15323914 0.97 ATAD2 (1.00) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL5235 0.97 — —
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 SCHEMBL31403209 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL8649294 0.95 ATAD2 (0.95) ATAD2DPYDMAPTGAAALDH1A1
Thymine SCHEMBL4811815 0.95 — —
Thymine SCHEMBL5176783 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.

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