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Sugi Predict / Compounds / Boric Acid

Boric Acid

Boric Acid

SCHEMBL29225777

Cc1nn([Ag](n2nc(C)c(Br)c2C)n2nc(C)c(Br)c2C)c(C)c1Br.OB(O)O

nearest known ligand 0.36

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ IKBKB O14920 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PLAU P00749 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ LMNA P02545 2/20 0.30

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
SCHEMBL28618165 0.65 HTT (0.35) HTTALDH1A1APAF1TP53IKBKB
SCHEMBL5502502 0.60 IKBKB (0.66) HTTALDH1A1APAF1TP53IKBKB
SCHEMBL28621813 0.60 HTT (0.33) HTTALDH1A1APAF1TP53POLB
SCHEMBL4134576 0.59 HTT (0.53) HTTALDH1A1APAF1TP53IKBKB
SCHEMBL9123113 0.58 IKBKB (0.44) HTTALDH1A1APAF1TP53IKBKB
SCHEMBL6920216 0.58 APAF1 (0.50) HTTALDH1A1APAF1TP53MAPT
SCHEMBL2588908 0.58 APAF1 (0.50) HTTALDH1A1APAF1TP53MAPK1
SCHEMBL13177328 0.58 APAF1 (0.50) HTTALDH1A1APAF1TP53MAPK1
SCHEMBL30078644 0.57 NPSR1 (0.39) HTTALDH1A1APAF1TP53IKBKB
SCHEMBL31488029 0.55 ALDH1A1 (0.37) HTTALDH1A1APAF1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227174-B Functionalized rubbers 戴纳索尔埃拉斯托默罗斯有限公司 2024-04-26 — — CN disclosed