Bromide

Bromide

SCHEMBL21245474

Br.C=C(C)C(=O)OCCC(C)C(C)(C)N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL23494011 0.84 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23522268 0.84 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3929660 0.81 TSHR (0.60) TSHRTHRBALDH1A1TDP1
Bromide SCHEMBL10881954 0.81 THRB (0.45) TSHRTHRBALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL716522 0.79 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL10883886 0.79 THRB (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL16408811 0.78 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8734158 0.77 THRB (0.55) TSHRTHRBALDH1A1POLBAPEX1
Bromide SCHEMBL21245514 0.77 TSHR (0.46) TSHRTHRBALDH1A1TDP1CHRNB2
SCHEMBL22183881 0.76 THRB (0.44) TSHRTHRBALDH1A1POLBAPEX1

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-20190247650-A1 SYSTEMS AND METHODS FOR AUGMENTING HUMAN MUSCLE CONTROLS TRAN BAO (US) 2019-08-15 US disclosed