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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23803153 | 0.98 | ACHE (0.48) | ACHEALDH1A1CNR1CNR2ZDHHC20 | |
| Hydrochloric Acid SCHEMBL27998931 | 0.96 | ACHE (0.47) | ACHEALDH1A1CNR1CNR2ZDHHC20 | |
| SCHEMBL20582243 | 0.87 | ACHE (0.39) | ACHEALDH1A1CNR1CNR2ZDHHC20 | |
| Hydrochloric Acid SCHEMBL3432649 | 0.86 | ACHE (0.38) | ACHEALDH1A1CNR1CNR2ZDHHC20 | |
| SCHEMBL20530938 | 0.79 | ACHE (0.50) | ACHEALDH1A1CNR1CNR2LMNA | |
| SCHEMBL11296642 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CNR1CNR2ZDHHC20ZDHHC2 | |
| Hydrochloric Acid SCHEMBL8777430 | 0.77 | ACHE (0.49) | ACHEALDH1A1CNR1CNR2LMNA | |
| SCHEMBL22109092 | 0.76 | CNR1 (0.49) | ALDH1A1CNR1CNR2 | |
| SCHEMBL14813332 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CNR1CNR2ZDHHC20ZDHHC2 | |
| SCHEMBL14813331 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CNR1CNR2ZDHHC20ZDHHC2 |
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-106414695-A | CLEANING COMPOSITIONS CONTAINING CATIONIC POLYMERS, AND METHODS OF MAKING AND USING SAME | 宝洁公司 | 2017-02-15 | — | — | CN | disclosed |