Triphosphate

Triphosphate

SCHEMBL27978070

Nc1nc(-c2ccccc2)nc2nc[nH]c12.O=P(O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.51
▸ ADORA2A P29274 8/20 0.51
▸ ADORA1 P30542 6/20 0.51
▸ PDPK1 O15530 1/20 0.41
▸ GDA Q9Y2T3 1/20 0.41
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ MGMT P16455 2/20 0.39
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL29791254 0.84 ADORA3 (0.69) ADORA3ADORA2AADORA1PDPK1GDA
SCHEMBL1741361 0.84 ADORA3 (0.69) ADORA3ADORA2AADORA1PDPK1GDA
Triphosphate SCHEMBL1074476 0.81 PDPK1 (0.66) PDPK1GDACDK1CCNB1MGMT
Triphosphate SCHEMBL30196670 0.79 PDPK1 (0.46) PDPK1GDACDK1CCNB1MGMT
Triphosphate SCHEMBL502620 0.74 PI4KA (0.65) PDPK1GDACDK2LMNACYP3A4
Triphosphate SCHEMBL29941501 0.74 PI4KA (0.65) PDPK1GDACDK2LMNACYP3A4
Adenine SCHEMBL29843997 0.73 PI4KA (0.63) PDPK1GDACDK2LMNATSHR
SCHEMBL7080816 0.73 PDPK1 (0.49) PDPK1GDACDK1CCNB1MGMT
Triphosphate SCHEMBL12813216 0.71 PNP (0.70) GDA
Triphosphate SCHEMBL76054 0.71 PNP (0.70) GDA

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
CN-103975240-B Diamond electrode nano gap transducer 英特尔公司 2016-09-07 — — CN disclosed
CN-103998931-B Nanogap transducer with selective surface immobilization sites INTEL CORP. (US) 2016-06-01 — — CN disclosed
CN-103998931-A Nanogap transducer with selective surface immobilization sites INTEL CORP 2014-08-20 — — CN disclosed
CN-103975240-A Diamond electrode nanogap transducers INTEL CORP 2014-08-06 — — CN disclosed
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