Riboflavin

Riboflavin

SCHEMBL5613376

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

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
▸ MEN1 O00255 7/20 0.96
▸ KMT2A Q03164 7/20 0.96
▸ USP2 O75604 4/20 0.96
▸ KDM4E B2RXH2 4/20 0.96
▸ HAT1 O14929 4/20 0.96
▸ RBBP7 Q16576 4/20 0.96
▸ HTT P42858 4/20 0.96
▸ RECQL P46063 3/20 0.96
▸ CASP7 P55210 3/20 0.96
▸ MAPT P10636 3/20 0.96
▸ CASP1 P29466 2/20 0.96
▸ BRCA1 P38398 2/20 0.96
▸ HSD17B10 Q99714 2/20 0.96
▸ TST Q16762 2/20 0.96
▸ TDP1 Q9NUW8 2/20 0.96
▸ ALDH1A1 P00352 2/20 0.96
▸ LMNA P02545 1/20 0.96
▸ HBB P68871 1/20 0.96
▸ CYP1A2 P05177 1/20 0.96
▸ CYP3A4 P08684 1/20 0.96

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 SCHEMBL15121522 1.00 MEN1 (0.96) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL14146654 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL5899262 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL29456492 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL2420598 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL13373926 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL7706 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL9609755 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL12979917 0.98 MEN1 (1.00) MEN1KMT2AUSP2KDM4EHAT1
Riboflavin SCHEMBL7707 0.98 MEN1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785503-B2 Biphenyl compound or pharmaceutically acceptable salt thereof, method for preparing novel biphenyl compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient for preventing or treating diabetes complications KOREA INSTITUTE OF ORIENTAL MEDICINE (KR) 2014-07-22 — — US disclosed
US-20130210928-A1 NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PREPARING NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DIABETES COMPLICATIONS KOREA INSTITUTE OF ORIENTAL MEDICINE (KR) 2013-08-15 — — US disclosed
EP-2617702-A2 NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PREPARING NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DIABETES COMPLICATIONS Korea Institute of Oriental Medicine (KR) 2013-07-24 — — EP disclosed
CN-101277712-A The composition comprising extract of cinnamomum cassia bark for improving normal flora and enhancing immune response KOREA INST ORIENTAL MEDICINE (KR) 2008-10-01 — — CN disclosed
WO-2007007958-A1 HERBAL PHARMACEUTICAL COMPOSITION FOR REGENERATIVE AGENT OF CARTILAGINOUS TISSUE AND TREATMENT OF OSTEOARTHRITIS YUHAN CORPORATION (KR) 2007-01-18 — — 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-20130210928-A1 NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PREPARING NOVEL BIPHENYL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DIABETES COMPLICATIONS VEGFA, KDR, SMO MEN1 4593/4885KMT2A 2443/4885USP2 4434/4885

“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.

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