Riboflavin

Riboflavin

SCHEMBL535031

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C.O=P([O-])(O)O.[Na+]

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 Riboflavin. 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
ADRB2 known ✓ P07550 1/20 0.74
ADRA1A known ✓ P35348 1/20 0.74
MEN1 O00255 7/20 0.87
KMT2A Q03164 7/20 0.87
USP2 O75604 4/20 0.87
KDM4E B2RXH2 4/20 0.87
HAT1 O14929 4/20 0.87
RBBP7 Q16576 4/20 0.87
HTT P42858 4/20 0.87
RECQL P46063 3/20 0.87
CASP7 P55210 3/20 0.87
MAPT P10636 3/20 0.87
CASP1 P29466 2/20 0.87
BRCA1 P38398 2/20 0.87
HSD17B10 Q99714 2/20 0.87
TST Q16762 2/20 0.87
TDP1 Q9NUW8 2/20 0.87
ALDH1A1 P00352 2/20 0.87
LMNA P02545 1/20 0.87
HBB P68871 1/20 0.87

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
Riboflavin SCHEMBL50154 1.00 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL27866166 1.00 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL367680 0.99 MEN1 (0.85) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL1085508 0.98 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL296802 0.97 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL21805317 0.97 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL618997 0.97 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL367681 0.96 MEN1 (0.87) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL2241206 0.95 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL1085509 0.95 MEN1 (0.89) MEN1KMT2AUSP2KDM4EHAT1

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
CN-111094309-A Preparation method of high-purity riboflavin sodium phosphate 邦泰生物工程(深圳)有限公司 2020-05-01 CN disclosed
EP-2415473-B1 ORAL CARE COMPOSITIONS CONTAINING COMBINATIONS OF ANTI-BACTERIAL AND HOST-RESPONSE MODULATING AGENTS PROCTER & GAMBLE (US) 2014-09-17 EP disclosed
US-8283135-B2 Oral care compositions containing combinations of anti-bacterial and host-response modulating agents THE PROCTER & GAMBLE COMPANY (US) 2012-10-09 US disclosed
EP-2079468-B1 ORAL CARE COMPOSITIONS CONTAINING COMBINATIONS OF ANTI-BACTERIAL AND HOST-RESPONSE MODULATING AGENTS PROCTER & GAMBLE (US) 2012-09-19 EP disclosed
EP-2415473-A1 Oral Care Compositions Containing Combinations of Anti-Bacterial and Host-Response Modulating Agents The Procter & Gamble Company (US) 2012-02-08 EP disclosed
EP-2079468-A1 ORAL CARE COMPOSITIONS CONTAINING COMBINATIONS OF ANTI-BACTERIAL AND HOST-RESPONSE MODULATING AGENTS The Procter and Gamble Company (US) 2009-07-22 EP disclosed
WO-2008057136-A1 ORAL CARE COMPOSITIONS CONTAINING COMBINATIONS OF ANTI-BACTERIAL AND HOST-RESPONSE MODULATING AGENTS THE PROCTER & GAMBLE COMPANY (US) 2008-05-15 WO disclosed
US-20070053849-A1 Oral care compositions containing combinations of anti-bacterial and host-response modulating agents THE PROCTER & GAMBLE COMPANY 2007-03-08 US 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-20070053849-A1 Oral care compositions containing combinations of anti-bacterial and host-response modulating agents TLR5, LTA, TLR3 ADRB2 4246/4885ADRA1A 4219/4885MEN1 4816/4885

“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.