SCHEMBL29630639

SCHEMBL29630639

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nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRD1 P41143 4/20 0.39
MME P08473 6/20 0.39
OPRK1 P41145 2/20 0.39
GLO1 Q04760 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
SCHEMBL29590315 0.98 PTGS1 (0.42) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL29867949 0.98 PTGS1 (0.42) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL29540545 0.95 PTGS1 (0.43) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL29416467 0.95 TGFBR1 (0.46) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL29630602 0.94 PTGS1 (0.43) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL29590898 0.94 PTGS1 (0.43) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL30463399 0.93 PTGS1 (0.50) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL30679729 0.92 PTGS1 (0.42) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL265264 0.92 PTGS1 (0.42) TGFBR1PTGS1GSTK1OPRM1OPRD1
SCHEMBL265263 0.92 PTGS1 (0.42) TGFBR1PTGS1GSTK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed