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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1607526 | 0.83 | MAOB (0.48) | MAOBTP53CYP3A4LMNAFFAR1 | |
| Bromide SCHEMBL27827557 | 0.80 | TP53 (0.57) | TP53CYP3A4LMNAMAPK1CYP1A2 | |
| SCHEMBL30114007 | 0.78 | MAOB (0.58) | MAOBCYP3A4LMNAMAPK1APP | |
| SCHEMBL2047854 | 0.78 | MAOB (0.58) | MAOBCYP3A4LMNAMAPK1APP | |
| Bromide SCHEMBL27655199 | 0.77 | ACHE (0.54) | CYP3A4CYP1A2 | |
| Bromide SCHEMBL27692975 | 0.77 | KMT2A (0.53) | TP53CYP3A4LMNAMAPK1CYP1A2 | |
| SCHEMBL761063 | 0.76 | ACHE (0.59) | MAOBLMNAGAA | |
| Bromide SCHEMBL21796171 | 0.75 | NQO1 (0.39) | FFAR1FYNAPPTSHR | |
| SCHEMBL20556001 | 0.74 | — | — | |
| SCHEMBL943678 | 0.74 | MAOB (0.56) | MAOBLMNA |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3402784-B1 | 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-11 | — | — | EP | disclosed |