Bromide

Bromide

SCHEMBL4952804

C=C(C)C(=O)OCC[N+](CC)(CC)CCC.[Br-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

The experimentally established mechanism targets of Bromide. 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
CHRM1 known ✓ P11229 4/20 0.36
CHRM3 known ✓ P20309 4/20 0.36
CHRM5 known ✓ P08912 3/20 0.36
CHRM2 known ✓ P08172 3/20 0.36
ACHE known ✓ P22303 4/20 0.34
CHRM4 known ✓ P08173 2/20 0.33
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.49
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL16353002 0.95 TSHR (0.53) TSHRTHRBCHRM1CHRM3CHRM5
Bromide SCHEMBL28547094 0.93 TSHR (0.59) TSHRTHRBCHRM1CHRM3CHRM5
Hydrochloric Acid SCHEMBL2796194 0.91 TSHR (0.61) TSHRTHRBCHRM1CHRM3CHRM5
SCHEMBL2744713 0.91 TSHR (0.61) TSHRTHRBCHRM1CHRM3CHRM5
Bromide SCHEMBL4541172 0.91 THRB (0.53) TSHRTHRBCHRM1CHRM3CHRM5
SCHEMBL1044534 0.89 THRB (0.55) TSHRTHRBCHRM1CHRM3CHRM5
Hydrochloric Acid SCHEMBL475918 0.89 THRB (0.55) TSHRTHRBCHRM1CHRM3CHRM5
SCHEMBL16352958 0.89 TSHR (0.56) TSHRTHRBCHRM1CHRM3CHRM5
SCHEMBL10883937 0.88 TSHR (0.59) TSHRTHRBCHRM1CHRM3CHRM5
SCHEMBL13109193 0.88 THRB (0.50) TSHRTHRBCHRM1CHRM3CHRM5

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
US-7368252-B2 Agglutination accelerator for immunological measurement WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-05-06 US disclosed
US-20040157276-A1 Agglutination accelerator for immunological measurement WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2004-08-12 US disclosed