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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6908873 | 0.99 | SMN1; SMN2 (0.43) | SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97 | |
| Bromide SCHEMBL1194178 | 0.83 | GLA (0.46) | SMN1; SMN2KMT2AL3MBTL1TMEM97SIGMAR1 | |
| SCHEMBL287785 | 0.70 | SMN1; SMN2 (0.41) | SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97 | |
| Bromide SCHEMBL1194556 | 0.69 | GLA (0.50) | KMT2AL3MBTL1AGTR1ALDH1A1MITF | |
| SCHEMBL6226750 | 0.69 | HPGD (0.46) | KMT2AL3MBTL1TMEM97SIGMAR1ALDH1A1 | |
| SCHEMBL6227326 | 0.68 | GLA (0.48) | KMT2AL3MBTL1AGTR1ALDH1A1MITF | |
| SCHEMBL13100724 | 0.68 | HPGD (0.74) | SMN1; SMN2KMT2AALDH1A1HPGDRAB9A | |
| Bromide SCHEMBL1194085 | 0.67 | ALDH1A1 (0.64) | SMN1; SMN2KMT2AALDH1A1HPGDRAB9A | |
| Bromide SCHEMBL7052707 | 0.67 | GLA (0.52) | SMN1; SMN2KMT2AL3MBTL1ALDH1A1MITF | |
| SCHEMBL6228373 | 0.66 | ALDH1A1 (0.61) | SMN1; SMN2KMT2AALDH1A1HPGDRAB9A |
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-1222171-B1 | PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF | TORRENT PHARMACEUTICALS LTD (IN) | 2004-02-25 | — | — | EP | claimed |