Biotin

Biotin

SCHEMBL22800855

N[SH](=O)=O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.c1ccc2nc3ccccc3cc2c1

nearest known ligand 0.64

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ABL1 P00519 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ IDE P14735 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RIN1 Q13671 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ CA12 O43570 10/20 0.51
▸ CA1 P00915 10/20 0.51
▸ CA2 P00918 10/20 0.51
▸ CA9 Q16790 10/20 0.51
▸ HLCS P50747 2/20 0.47

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 SCHEMBL5683818 0.95 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL18993019 0.86 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4350764 0.84 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL28034601 0.81 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL437943 0.81 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16540693 0.81 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23124079 0.81 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL723192 0.80 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL636444 0.80 TDP1 (0.94) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL1199492 0.80 TDP1 (0.94) 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
US-20200399683-A1 Composition and Methods For Affinity Directed Enrichment of Rare Species SPARK MOLECULAR DIAGNOSTICS, INC. 2020-12-24 — — US disclosed
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