Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL2992549

CCCCC(CCCC)[N+](CCCC)(CCCC)CCCC.[Br-]

nearest known ligand 0.41

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 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A1 O15245 3/20 0.41
▸ DNM1 Q05193 8/20 0.40
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC22A2 O15244 1/20 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
SCHEMBL9117364 0.92 TSHR (0.39) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
Fluoride Ion SCHEMBL2965514 0.90 TSHR (0.38) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
Fluoride Ion SCHEMBL28863768 0.90 TSHR (0.38) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
SCHEMBL6139813 0.88 DNM1 (0.46) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
Bromide SCHEMBL28543161 0.86 DNM1 (0.43) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
Water SCHEMBL2161195 0.85 TSHR (0.38) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
SCHEMBL28348271 0.84 TSHR (0.34) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
SCHEMBL28920922 0.83 ALDH1A1 (0.34) SLC22A1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2861267 0.82 SLC22A1 (0.50) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16936160 0.82 SLC22A1 (0.50) SLC22A1DNM1TSHRSMN1; SMN2ALDH1A1

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-20100187467-A1 Aqueous solution for formation of clathrate hydrate, heat storage agent, method for producing clathrate hydrate or its slurry, heat accumulating and radiating method and method for preparing aqueous solution to produce latent heat storage agent or its major component JFE ENGINEERING CORPORATION 2010-07-29 — — US disclosed
EP-2210928-A1 AQUEOUS SOLUTION FOR CLATHRATE HYDRATE FORMATION, HEAT-STORAGE AGENT, PROCESS FOR PRODUCING CLATHRATE HYDRATE OR SLURRY THEREOF, METHOD OF STORING/RADIATING HEAT, AND PROCESS FOR PREPARING AQUEOUS SOLUTION FOR FORMING LATENT-HEAT-STORAGE AGENT OR MAJOR COMPONENT THEREOF JFE Engineering Corporation (JP) 2010-07-28 — — EP disclosed