Biotin

Biotin

SCHEMBL4433162

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

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.87
MEN1 O00255 1/20 0.87
ABL1 P00519 1/20 0.87
LMNA P02545 1/20 0.87
PKM P14618 1/20 0.87
IDE P14735 1/20 0.87
MAPK1 P28482 1/20 0.87
KMT2A Q03164 1/20 0.87
RIN1 Q13671 1/20 0.87
L3MBTL1 Q9Y468 1/20 0.87
HLCS P50747 6/20 0.61
CA12 O43570 8/20 0.56
CA1 P00915 8/20 0.56
CA2 P00918 8/20 0.56
CA9 Q16790 8/20 0.56

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 SCHEMBL1215022 0.99 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL28780778 0.99 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL398483 0.95 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3473268 0.95 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6648954 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23055065 0.93 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL22943835 0.93 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL36572 0.93 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL21981206 0.93 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20547409 0.93 TDP1 (1.00) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058293-A1 Nutritional Formulas Comprising Medium Chain Fatty Acids or Esters Thereof and Methods Related Thereto UNIV EMORY (US) 2024-02-22 US disclosed
US-11826336-B2 Nutritional formulas comprising medium chain fatty acids or esters thereof and methods related thereto EMORY UNIVERSITY (US) 2023-11-28 US disclosed
US-20210283090-A1 Nutritional Formulas Comprising Medium Chain Fatty Acids or Esters Thereof and Methods Related Thereto UNIV EMORY (US) 2021-09-16 US disclosed
US-11026913-B2 Nutritional formulas comprising medium chain fatty acids or esters thereof and methods related thereto EMORY UNIVERSITY (US) 2021-06-08 US disclosed
US-10765653-B2 Fatty acid formulations and methods of use thereof CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND (US) 2020-09-08 US disclosed
US-20190328696-A1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND 2019-10-31 US disclosed
EP-3539560-A1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF Children's Hospital & Research Center at Oakland (US) 2019-09-18 EP disclosed
US-10398671-B2 Fatty acid formulations and methods of use thereof CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2019-09-03 US disclosed
US-10300034-B2 Fatty acid formulations and methods of use thereof CHILDREN'S HOSPITAL OF OAKLAND RESEARCH INSTITUTE (US) 2019-05-28 US disclosed
EP-2131679-B1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF CHILDRENS HOSPITAL & RES CENTER AT OAKLAND (US) 2019-03-27 EP disclosed
US-9687016-B2 Fatty acid formulations and methods of use thereof CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND (US) 2017-06-27 US disclosed
US-20170143655-A1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND 2017-05-25 US disclosed
US-20160199337-A1 Nutritional Formulas Comprising Medium Chain Fatty Acids or Esters Thereof and Methods Related Thereto CHILDREN'S HEALTHCARE OF ATLANTA, INC. (US) 2016-07-14 US disclosed
WO-2015034984-A1 NUTRITIONAL FORMULAS COMPRISING MEDIUM CHAIN FATTY ACIDS OR ESTERS THEREOF AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-03-12 WO disclosed
US-20120190737-A1 Fatty Acid Formulations and Methods of Use Thereof CHILDREN'S HOSPITAL & RESEARCH CENTER OAKLAND 2012-07-26 US disclosed
EP-2131679-A1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF Children's Hospital & Research Center at Oakland (US) 2009-12-16 EP disclosed
US-20080213239-A1 Dietary mixture comprising docosohexaenoic acid, alpha -tocopherol, gamma tocopherol and eicosapentaenoic acid for use in treatment and prevention of inflammatory, rheumatic and cardiovascular disorders CHILDREN'S HOSPITAL OF OAKLAND RESEARCH INSTITUTE 2008-09-04 US disclosed
WO-2008103370-A1 FATTY ACID FORMULATIONS AND METHODS OF USE THEREOF CHILDREN'S HOSPITAL AND RESEARCH CENTER AT OAKLAND (US) 2008-08-28 WO disclosed