Acetonitrile

Acetonitrile

SCHEMBL28274398

CC#N.N#COc1ccccc1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNA3 P22001 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MAOB P27338 2/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NAAA Q02083 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
Ethane SCHEMBL28179057 0.92 CA4 (0.43) CA4LTA4HTSHRSMN1; SMN2MEN1
Ethane SCHEMBL16742408 0.92 CA4 (0.43) CA4LTA4HTSHRSMN1; SMN2MEN1
Water SCHEMBL27739593 0.92 TSHR (0.45) CA4LTA4HTSHRMAOASMN1; SMN2
SCHEMBL100094 0.92
Water SCHEMBL1155688 0.92 TSHR (0.45) CA4LTA4HTSHRMAOASMN1; SMN2
SCHEMBL28281167 0.92 TSHR (0.45) CA4LTA4HTSHRMAOASMN1; SMN2
Hydrogen Sulfide SCHEMBL1156212 0.90 TSHR (0.43) CA4LTA4HTSHRMAOAMEN1
Methane SCHEMBL28353666 0.90 TSHR (0.43) CA4LTA4HTSHRMAOASMN1; SMN2
SCHEMBL29626215 0.90 TSHR (0.43) CA4LTA4HTSHRMAOAMEN1
SCHEMBL27839073 0.90 TSHR (0.43) CA4LTA4HTSHRMAOASMN1; SMN2

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-109239219-A The quantitative detecting method of polypeptide in a kind of transfer factor capsule 金花企业(集团)股份有限公司西安金花制药厂 2019-01-18 CN claimed
CN-109239219-A The quantitative detecting method of polypeptide in a kind of transfer factor capsule 金花企业(集团)股份有限公司西安金花制药厂 2019-01-18 CN disclosed