Thymine

Thymine

SCHEMBL8727441

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

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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 18)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.79
▸ GAA P10253 2/20 0.48
▸ DPYD Q12882 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35

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 SCHEMBL23794979 0.89 ATAD2 (0.91) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL15323914 0.89 ATAD2 (1.00) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL750450 0.89 ATAD2 (1.00) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL5235 0.89 — —
Thymine SCHEMBL17201833 0.89 ATAD2 (1.00) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL3025204 0.87 ATAD2 (0.86) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL8304490 0.87 ATAD2 (0.86) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL8649294 0.87 ATAD2 (0.95) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL935833 0.87 ATAD2 (0.95) ATAD2GAADPYDMAPTALDH1A1
Thymine SCHEMBL31403209 0.87 ATAD2 (0.95) ATAD2GAADPYDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076728-A1 NOVEL METHOD OF COMBINED MOLECULAR CLAMPING AND ALLELE SPECIFIC qPCR TECHNOLOGY FOR KRAS G12C MUTATION DETECTION SUN QING (US) 2024-03-07 — — US disclosed
CN-1083455-C Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof SEIKAGAKU KOGYO CO LTD (JP) 2002-04-24 — — CN disclosed
US-5763504-A PREVENTING CELL AND/OR TISSUE ADHESION WHEN APPLIED TO WOUNDS SEIKAGAKU KOGYO KABUSHIKI KAISHA(SEIKAGAKU CORPORATION) (JP) 1998-06-09 — — US disclosed
EP-0554898-B1 Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof SEIKAGAKU KOGYO CO LTD (JP) 1997-05-07 — — EP disclosed
US-5462976-A Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-10-31 — — US disclosed
CN-1075970-A Photocurable medicine sugar aminoglycan derivative, crosslinked glycosaminoglycan and production method thereof SEIKAGAKU KOGYO CO LTD (JP) 1993-09-08 — — CN disclosed
EP-0554898-A2 Photocurable glycosaminoglycan derivatives, crosslinked glycosaminoglycans and method of production thereof SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1993-08-11 — — EP disclosed
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