Bromide

Bromide

SCHEMBL4938367

Br.O=CCCc1nccs1

nearest known ligand 0.42

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 3/20 0.36
CHRM2 known ✓ P08172 2/20 0.35
CHRM3 known ✓ P20309 2/20 0.35
FDPS P14324 1/20 0.41
CYP2C19 P33261 1/20 0.37
CHRM1 P11229 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 1/20 0.33
COPS5 Q92905 1/20 0.32
CYP2D6 P10635 1/20 0.32
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31
ALOX15 P16050 1/20 0.31
PSMD14 O00487 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1628173 0.98
SCHEMBL25286708 0.86 FDPS (0.40) FDPSCYP2C19SLC6A3CHRM2CHRM1
SCHEMBL8671012 0.78 FDPS (0.47) FDPSCYP2C19SLC6A3CHRM2CHRM1
SCHEMBL10860666 0.78
SCHEMBL9441399 0.78
SCHEMBL1998111 0.77 DRD4 (0.41) FDPSCYP2C19SLC6A3CHRM2CHRM1
SCHEMBL247632 0.77
SCHEMBL6997367 0.76 FDPS (0.38) FDPSCYP2C19SLC6A3CHRM2CHRM1
SCHEMBL2000599 0.74 DRD4 (0.38) FDPSCYP2C19SLC6A3CHRM2CHRM1
SCHEMBL841788 0.74

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-20080293931-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors LOS ALAMOS NATIONAL SECURITY, LLC 2008-11-27 US disclosed
US-20070065841-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors ENERGY, U.S. DEPARTMENT OF 2007-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293931-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors POLRMT, FBL, POLL SLC6A3 2974/4885CHRM2 4129/4885CHRM3 3144/4885
US-20070065841-A1 Methods and compositions for the removal of nucleic acid amplification inhibitors POLRMT, FBL, POLL SLC6A3 2974/4885CHRM2 4129/4885CHRM3 3144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.