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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29603795 | 0.98 | ALDH1A1 (0.34) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL21722392 | 0.97 | ALDH1A1 (0.33) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL29603410 | 0.97 | ALDH1A1 (0.33) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL6098447 | 0.92 | ALDH1A1 (0.31) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| Bromide SCHEMBL1608734 | 0.90 | ALDH1A1 (0.32) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL442095 | 0.88 | ALDH1A1 (0.33) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL442699 | 0.86 | ALDH1A1 (0.32) | ALDH1A1POLBMAPTHTTSMN1; SMN2 | |
| SCHEMBL18287206 | 0.84 | — | — | |
| SCHEMBL819057 | 0.82 | — | — | |
| SCHEMBL29602996 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009135600-A1 | CATALYSTS FOR THE SYNTHESIS OF POLYURETHANES | BAYER MATERIALSCIENCE AG (DE) | 2009-11-12 | — | — | WO | disclosed |