Triphenylene

Triphenylene

SCHEMBL3729324

[C].c1ccc2c(c1)c1ccccc1c1ccccc21

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.53
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP2A6 P11509 3/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 3/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
IDO1 P14902 1/20 0.47
GPR3 P46089 5/20 0.44
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAX8 Q06710 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL1004315 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL25597 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL29363356 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1006251 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL311118 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL14244664 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30977781 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL29698924 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31467394 0.94 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL11053253 0.89 HPRT1 (0.53) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960204-B1 HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES AIR PROD & CHEM (US) 2018-06-13 EP disclosed
EP-2960204-A1 HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-12-30 EP disclosed
US-7766986-B2 Dehydrogenation of liquid fuel in microchannel catalytic reactor AIR PRODUCTS & CHEMICALS, INC. (US) 2010-08-03 US disclosed
US-7485161-B2 Dehydrogenation of liquid fuel in microchannel catalytic reactor AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-02-03 US disclosed
US-20090019768-A1 Dehydrogenation of Liquid Fuel in Microchannel Catalytic Reactor AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-01-22 US disclosed
US-7429372-B2 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-09-30 US disclosed
US-7351395-B1 Catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-04-01 US disclosed
US-7101530-B2 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-09-05 US disclosed
US-20060143981-A1 Dehydrogenation of liquid fuel in microchannel catalytic reactor ENERGY, UNITED STATES DEPARTMENT OF 2006-07-06 US disclosed
EP-1660404-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-05-31 EP disclosed
US-20050002857-A1 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells ENERGY, UNITED STATES DEPARTMENT OF 2005-01-06 US disclosed
WO-2005000457-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-01-06 WO disclosed
US-20040223907-A1 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells ENERGY, UNITED STATES DEPARTMENT OF 2004-11-11 US disclosed
EP-1475349-A2 Hydrogen storage by reversible hydrogenation of pi-conjugated substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-11-10 EP disclosed