Biotin

Biotin

SCHEMBL523980

O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=c1ccn(C2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DUT P33316 4/20 0.44
F2 P00734 4/20 0.42
HLCS P50747 2/20 0.39
PLCD1 P51178 1/20 0.39

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 SCHEMBL381578 0.88 DUT (0.52) TDP1DUTF2
SCHEMBL2808581 0.85 F2 (0.51) TDP1MEN1ABL1LMNAPKM
Doxribtimine SCHEMBL4277671 0.83 TDP1 (0.52) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4304275 0.82 TDP1 (0.44) TDP1MEN1ABL1LMNAPKM
Deoxyuridine SCHEMBL3709892 0.78 DUT (0.64) LMNADUT
Deoxyuridine SCHEMBL15199 0.78 DUT (0.64) LMNADUT
Deoxyuridine SCHEMBL20585969 0.78 DUT (0.64) LMNADUT
Deoxyuridine SCHEMBL27615744 0.78 DUT (0.64) LMNADUT
Deoxyuridine SCHEMBL1501332 0.78 DUT (0.64) LMNADUT
Deoxyuridine SCHEMBL157130 0.78 DUT (0.64) LMNADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008940-A1 Mucin Derived Polypeptides MuciMed, Inc. 2017-01-12 US disclosed
US-9119869-B2 Mucin derived polypeptides MUCIMED, INC, 2015-09-01 US disclosed
US-20130345073-A1 USE OF ALPHA-2-MACROGLOBULIN FOR DETERMINING OSTEONECROSIS DISEASE STATUS AND FOR SCREENING THERAPEUTIC AGENTS FOR PREVENTING OR TREATING OSTEONECROSIS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2013-12-26 US disclosed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 US disclosed
US-20120028911-A1 Mucin Derived Polypeptides MuciMed, Inc. (US) 2012-02-02 US disclosed
US-20110190399-A1 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME Kar, Santosh Kumar (IN) 2011-08-04 US disclosed
EP-2349237-A2 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME Kar, Santosh Kumar (IN) 2011-08-03 EP disclosed
WO-2010129954-A1 TREATMENT OF ISCHEMIA-REPERFUSION INJURY APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-11-11 WO disclosed
WO-2010013224-A2 CURCUMIN NANOPARTICLES AND METHODS OF PRODUCING THE SAME KAR SANTOSH KUMAR (IN) 2010-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 TDP1 4199/4885MEN1 4490/4885ABL1 3566/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.