Biotin

Biotin

SCHEMBL3742251

NCCn1c(=O)n(C2CCN(C(=O)OC[C@H](Cc3ccccc3)N(Cc3ccccc3)Cc3ccccc3)CC2)c2ccccc21.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.41
▸ CA1 P00915 7/20 0.41
▸ CA2 P00918 7/20 0.41
▸ CA9 Q16790 7/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ PDE6D O43924 1/20 0.35
▸ PLG P00747 2/20 0.35

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
SCHEMBL13079881 0.90 PDE6D (0.43) CA12CA1CA2CA9TDP1
Biotin SCHEMBL3667448 0.84 TDP1 (0.52) CA12CA1CA2CA9TDP1
SCHEMBL13980451 0.79 CACNA1G (0.39) CACNA1GCACNA1H
SCHEMBL3748076 0.76 CYP3A4 (0.50) CACNA1GCACNA1H
SCHEMBL3673905 0.76 CYP3A4 (0.50) CACNA1GCACNA1H
SCHEMBL3748073 0.76 CYP3A4 (0.50) CACNA1GCACNA1H
Biotin SCHEMBL3668898 0.74 CA12 (0.45) CA12CA1CA2CA9TDP1
SCHEMBL1834216 0.74 CYP3A4 (0.45) MEN1KMT2AL3MBTL1CACNA1GCACNA1H
SCHEMBL1834213 0.74 CYP3A4 (0.45) MEN1KMT2AL3MBTL1CACNA1GCACNA1H
SCHEMBL3741812 0.73 CACNA1G (0.53) CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 CA12 3539/4885CA1 3683/4885CA2 2670/4885

“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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