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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28117584 | 0.86 | — | — | |
| Hexane SCHEMBL1664733 | 0.86 | EPHX1 (0.45) | EPHX1NPC1TP53HPGDRAB9A | |
| Heptane SCHEMBL241041 | 0.84 | EPHX1 (0.48) | EPHX1NPC1TP53HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL28117972 | 0.81 | — | — | |
| Propane SCHEMBL29260697 | 0.79 | — | — | |
| Bromide SCHEMBL27988324 | 0.79 | — | — | |
| SCHEMBL28596158 | 0.78 | EPHX1 (0.35) | EPHX1NPC1TP53HPGDRAB9A | |
| Butyl Alcohol SCHEMBL28856285 | 0.78 | ALDH1A1 (0.44) | EPHX1NPC1TP53HPGDRAB9A | |
| 1-Pentanol SCHEMBL28201262 | 0.77 | SMN1; SMN2 (0.46) | EPHX1NPC1TP53HPGDRAB9A | |
| SCHEMBL2473867 | 0.76 | NOS2 (0.35) | — |
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-109942374-B | Method for continuous flow synthesis of 4-methyl-5-nonanol | 浙江工业大学 | 2022-04-08 | — | — | CN | disclosed |