Fluoride

Fluoride

SCHEMBL28034068

CCCCCCCCCCCCCCCCCC(N)C(CCCCCCCCC)CCCCCCCCN.F.F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.54
SPHK1 Q9NYA1 2/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
OPRM1 P35372 1/20 0.43
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL15580908 0.89 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL11832847 0.89 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL14900909 0.89 OPRM1 (0.52) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL20142346 0.88 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10777307 0.87 SPHK1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL350373 0.87 DNM1 (0.65) DNM1MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL11832535 0.87 OPRM1 (0.50) DNM1TSHRSPHK1OPRM1CYP2D6
SCHEMBL11218302 0.87 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11227958 0.87 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL11826403 0.85 OPRM1 (0.48) DNM1SPHK1OPRM1CYP2D6GMNN

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-104994916-B Oral care composition 加巴国际控股有限公司 2018-02-13 CN disclosed
CN-104994916-A Oral care composition GABA INT HOLDING AG 2015-10-21 CN disclosed