Biotin

Biotin

SCHEMBL28622397

CCCCCC1CC(=O)N(O)C1=O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HLCS P50747 6/20 0.61
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSAB1 Q15661 1/20 0.42

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
Biotin SCHEMBL6033491 0.87 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8651197 0.87 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL2192463 0.87 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8672968 0.86 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Stearic Acid SCHEMBL10828834 0.85 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL27671459 0.85 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3518095 0.85 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL9497602 0.84 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL987288 0.83 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
Hexanoate SCHEMBL4243024 0.83 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108467866-B Aptamer specifically bound with (1,3) -beta-D-glucan and application thereof 广州医科大学附属第一医院 2021-08-24 CN disclosed