Biotin

Biotin

SCHEMBL6734256

N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ IDE P14735 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RIN1 Q13671 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ HLCS P50747 3/20 0.45
▸ CA12 O43570 8/20 0.44
▸ CA1 P00915 8/20 0.44
▸ CA2 P00918 8/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ FOLH1 Q04609 2/20 0.42

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 SCHEMBL15067661 1.00 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20495575 1.00 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL29349497 0.89 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
Histidine SCHEMBL2269187 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL10612975 0.86 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL30081014 0.83 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8366189 0.82 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL15067659 0.82 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL5903513 0.81 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8011738 0.81 TDP1 (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040185530-A1 Novel thermophilic polymerase III holoenzyme REPLIDYNE, INC. 2004-09-23 — — US disclosed
US-6677146-B1 HAVING AT LEAST 95% IDENTITY TO AMINO ACID SEQUENCE 10; STIMULATING PROCESSIVE DNA REPLICATION REPLIDYNE, INC. 2004-01-13 — — US disclosed
EP-1268813-A2 THERMOPHILIC POLYMERASE III HOLOENZYME McHenry, Charles S. (US) 2003-01-02 — — EP disclosed
WO-2001073052-A2 THERMOPHILIC POLYMERASE III HOLOENZYME REPLIDYNE, INC. (US) 2001-10-04 — — WO disclosed
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