Biotin

Biotin

SCHEMBL1033634

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

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Biotin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ ABL1 P00519 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ PKM P14618 1/20 0.69
▸ IDE P14735 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ RIN1 Q13671 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ HLCS P50747 6/20 0.50
▸ FOLH1 Q04609 2/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ PLG P00747 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44

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 SCHEMBL3790437 0.98 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL693036 0.98 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8011738 0.91 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8011736 0.91 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL770769 0.89 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL770770 0.88 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3425472 0.88 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL739967 0.88 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20473405 0.88 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL16653090 0.87 TDP1 (0.83) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852004-B1 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS LUMINEX CORP (US) 2011-01-19 — — EP disclosed
US-20040059519-A1 Multiplexed analysis of clinical specimens apparatus and methods LUMINEX CORPORATION 2004-03-25 — — US disclosed
US-6449562-B1 Multiplexed analysis of clinical specimens apparatus and method LUMINEX CORPORATION 2002-09-10 — — US disclosed
WO-1999036564-A9 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS APPARATUS AND METHODS LUMINEX CORP (US) 1999-10-28 — — WO disclosed
WO-1999036564-A1 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS APPARATUS AND METHODS LUMINEX CORPORATION (US) 1999-07-22 — — WO disclosed
EP-0852004-A2 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS LUMINEX CORP (US) 1998-07-08 — — EP disclosed
WO-1997014028-A9 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS APPARATUS AND METHOD — 1997-08-21 — — WO disclosed
WO-1997014028-A2 MULTIPLEXED ANALYSIS OF CLINICAL SPECIMENS APPARATUS AND METHOD LUMINEX CORPORATION (US) 1997-04-17 — — WO disclosed
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