Guaifenesin

Guaifenesin

SCHEMBL31161209

COc1ccccc1OC[C@H](O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 1.00
▸ LMNA P02545 3/20 1.00
▸ AGTR1 P30556 1/20 1.00
▸ KDM4E B2RXH2 4/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ IDO1 P14902 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ CASR P41180 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 1/20 0.49

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
Guaifenesin SCHEMBL29759010 1.00 CYP1A2 (1.00) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL4322 1.00 CYP1A2 (1.00) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL160234 1.00 CYP1A2 (1.00) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL4321 1.00 CYP1A2 (1.00) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL2459821 0.98 CYP1A2 (0.96) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL4894727 0.98 CYP1A2 (0.96) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL28898302 0.92 CYP1A2 (0.84) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
Guaifenesin SCHEMBL28062894 0.92 CYP1A2 (0.84) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
SCHEMBL29941729 0.90 LMNA (0.82) CYP1A2LMNAAGTR1KDM4ESMN1; SMN2
SCHEMBL2328960 0.90 LMNA (0.82) CYP1A2LMNAAGTR1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119023840-A Method for detecting residual solvent in guaifenesin 福建南方济民医药研发中心有限公司 2024-11-26 — — CN disclosed
Send feedback