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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 9/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL30875781 | 0.85 | CHRNA7 (0.72) | CHRNA7PSMB5PSMB1PPARA | |
| Bromide SCHEMBL30875784 | 0.85 | CHRNA7 (0.72) | CHRNA7PSMB5PSMB1PPARA | |
| Bromide SCHEMBL1172199 | 0.84 | CHRNA7 (0.69) | CHRNA7PSMB5PSMB1 | |
| SCHEMBL30120491 | 0.84 | CHRNA7 (0.74) | CHRNA7PSMB5PSMB1PPARA | |
| Bromide SCHEMBL1171472 | 0.82 | CHRNA7 (0.69) | CHRNA7PSMB5PSMB1 | |
| Bromide SCHEMBL4827485 | 0.82 | CHRNA7 (0.69) | CHRNA7PSMB5PSMB1 | |
| SCHEMBL3562374 | 0.82 | KCNA3 (0.64) | CHRNA7ALDH1A1SMN1; SMN2LMNAMAPT | |
| Bromide SCHEMBL3092089 | 0.80 | CHRNA7 (0.64) | CHRNA7PSMB5PSMB1 | |
| Bromide SCHEMBL4827422 | 0.79 | CHRNA7 (0.68) | CHRNA7ALDH1A1 | |
| Bromide SCHEMBL23704752 | 0.79 | CHRNA7 (0.52) | CHRNA7MAPTPSMB5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108410203-B | Fluorescent dye based on aggregation-induced emission near infrared, large Stokes shift and photostability as well as preparation method and application thereof | 华东理工大学 | 2020-08-07 | — | — | CN | disclosed |