Pentane

Pentane

SCHEMBL19922705

CCCCC.Cn1ccnc1-c1ccccc1.Cn1ccnc1-c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HSD11B1 P28845 2/20 0.47
NR1H3 Q13133 2/20 0.46
ESR1 P03372 1/20 0.46
HDAC4 P56524 2/20 0.46
HPGD P15428 3/20 0.44
PDE4B Q07343 1/20 0.44
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
BRD4 O60885 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
PDK1 Q15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL786747 0.89 HDAC4 (0.52) NR1H3ESR1HDAC4KMT2AALDH1A1
SCHEMBL5921550 0.87 HDAC4 (0.51) NR1H3ESR1HDAC4KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28830016 0.87 HDAC4 (0.51) NR1H3ESR1HDAC4KMT2AALDH1A1
SCHEMBL9281044 0.85 HDAC4 (0.54) HSD11B1NR1H3ESR1HDAC4KMT2A
SCHEMBL2399585 0.81 ESR1 (0.60) TSHRHSD11B1NR1H3ESR1PDE4B
Iodide SCHEMBL10483028 0.80 ESR1 (0.59) TSHRHSD11B1NR1H3ESR1PDE4B
SCHEMBL3833947 0.80 ESR1 (0.59) TSHRHSD11B1NR1H3ESR1HPGD
Phosphoric Acid SCHEMBL17964489 0.79 HDAC4 (0.52) NR1H3ESR1HDAC4KMT2ABRD4
SCHEMBL11016233 0.79 ESR1 (0.57) TSHRHSD11B1NR1H3ESR1HPGD
Hexadecane SCHEMBL5816538 0.79 ESR1 (0.57) TSHRHSD11B1NR1H3ESR1HPGD

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-10826099-B2 Proton exchange composite membrane Tagh-e-Mina Energy Technology Co. (IR) 2020-11-03 US claimed
US-20180069257-A1 PROTON EXCHANGE COMPOSITE MEMBRANE Amirkabir University of Technology (IR) 2018-03-08 US claimed
US-10826099-B2 Proton exchange composite membrane Tagh-e-Mina Energy Technology Co. (IR) 2020-11-03 US disclosed
US-20180069257-A1 PROTON EXCHANGE COMPOSITE MEMBRANE Amirkabir University of Technology (IR) 2018-03-08 US disclosed