Triphosphate

Triphosphate

SCHEMBL27823972

Cc1cn([C@@]2(N=[N+]=[N-])C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
POLA1 P09884 1/20 0.46
POLD1 P28340 1/20 0.46
TK1 P04183 3/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ALB P02768 1/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CYP2D6 P10635 1/20 0.43
P2RY2 P41231 1/20 0.39
P2RY6 Q15077 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
SCHEMBL16247014 0.92 TK1 (0.47) TK1LMNATSHRALBPKM
SCHEMBL15515984 0.91 POLB (0.56) POLBPOLA1POLD1TK1P2RY2
SCHEMBL17515060 0.86 TK1 (0.51) POLBPOLA1POLD1TK1
SCHEMBL31597706 0.83 POLB (0.43) POLBPOLA1POLD1TK1ALB
SCHEMBL8727960 0.81 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL547924 0.81 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL5078626 0.81 POLB (0.44) POLBTK1LMNATSHRALB
SCHEMBL27987948 0.81 TK1 (0.55) POLBPOLA1POLD1TK1LMNA
Quinoline SCHEMBL15210080 0.80 TK1 (0.38) TK1LMNATSHRALBPKM
SCHEMBL29625276 0.78 POLB (0.53) POLBPOLA1POLD1TK1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104689339-A Direct-transfer type multipurpose biological missile and manufacturing method thereof BAI TAO 2015-06-10 CN disclosed
CN-102309755-A Design scheme for compound type dual duplex locating type intracellular vaccine TAO BAI 2012-01-11 CN disclosed