Biotin

Biotin

SCHEMBL2057282

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

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 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 6/20 0.53
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
FOLH1 Q04609 1/20 0.49

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 SCHEMBL453833 0.99 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6865574 0.95 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL15283293 0.95 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL30842797 0.95 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL7847236 0.95 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL5960334 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3425472 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL770770 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL739967 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20473405 0.94 TDP1 (0.90) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021372-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2011-01-27 US disclosed
US-7776533-B2 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-08-17 US disclosed
US-20100009381-A1 Compositions and methods for detection and isolation of phosphorylated molecules Life Technologies Corporation (US) 2010-01-14 US disclosed
US-7445894-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2008-11-04 US disclosed
US-20080044804-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2008-02-21 US disclosed
US-20070054304-A1 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES INVITROGEN CORPORATION (US) 2007-03-08 US disclosed
US-7102005-B2 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. (US) 2006-09-05 US disclosed
EP-1546118-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES Molecular Probes Inc. (US) 2005-06-29 EP disclosed
WO-2005047901-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2005-05-26 WO disclosed
US-20050014197-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2005-01-20 US disclosed
US-20040171034-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-09-02 US disclosed
WO-2004042347-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2004-05-21 WO disclosed
US-20040038306-A1 Compositions and methods for detection and isolation of phosphorylated molecules MOLECULAR PROBES, INC. 2004-02-26 US disclosed
US-6335176-B1 REAGENT IS SUCCINIMIDYL MOIETY LINKED TO KINASE SUBSTRATE; CAN BE LINKED TO FREE PRIMARY OR SECONDARY AMINE IN COMPOUND TO BE PHOSPHORYLATED PHARMACOPEIA, INC. 2002-01-01 US disclosed