Bromhexine

Bromhexine

SCHEMBL11045765

CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.71

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Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Bromhexine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 known ✓ P0DMS8 1/20 0.71
▸ SLC6A2 known ✓ P23975 1/20 0.71
▸ SIGMAR1 known ✓ Q99720 1/20 0.71
▸ MEN1 known ✓ O00255 1/20 0.35
▸ FLT3 known ✓ P36888 1/20 0.31
▸ JAK3 known ✓ P52333 1/20 0.31
▸ CYP2D6 P10635 4/20 0.71
▸ SLC6A4 P31645 2/20 0.71
▸ KCNH2 Q12809 2/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ AR P10275 1/20 0.71
▸ PDE4A P27815 1/20 0.71
▸ SLC6A3 Q01959 1/20 0.71
▸ LMNA P02545 4/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ HTT P42858 1/20 0.69
▸ CYP1A2 P05177 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.35

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
Bromhexine SCHEMBL19059 0.84 CYP2D6 (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL29379593 0.84 CYP2D6 (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL10704011 0.83 LMNA (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL99613 0.83 LMNA (1.00) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL18548828 0.83 CYP2D6 (0.97) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL8573766 0.80 CYP2D6 (0.81) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL5968149 0.80 CYP2D6 (0.81) CYP2D6SLC6A4KCNH2ABCB11ADORA3
SCHEMBL11619080 0.78 CYP2D6 (0.68) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL28142898 0.77 CYP2D6 (0.64) CYP2D6SLC6A4KCNH2ABCB11ADORA3
Bromhexine SCHEMBL13723555 0.75 CYP2D6 (0.64) CYP2D6SLC6A4KCNH2ABCB11ADORA3

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
US-4438091-A FOR RESPIRATORY DISORDERS DR. KARL THOMAE GMBH (DE) 1984-03-20 — — US disclosed
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