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 | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1194595 | 0.73 | MAPT (0.38) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| Bromide SCHEMBL5359071 | 0.73 | EPHX2 (0.41) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL6596513 | 0.68 | RAB9A (0.43) | ALDH1A1MAPTMEN1KMT2ACTNNB1 | |
| Bromide SCHEMBL1193826 | 0.66 | SMN1; SMN2 (0.42) | ALDH1A1MEN1KMT2ACTNNB1NPC1 | |
| Hydrochloric Acid SCHEMBL3686641 | 0.66 | ALDH1A1 (0.38) | ALDH1A1MAPTMEN1KMT2ACTNNB1 | |
| Hydrochloric Acid SCHEMBL287349 | 0.65 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| Bromide SCHEMBL1193996 | 0.65 | RAB9A (0.58) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL12098558 | 0.65 | KDM5A (0.43) | SLC16A3ALDH1A1L3MBTL1KDM4EKDM5A | |
| SCHEMBL6598001 | 0.64 | ALDH1A1 (0.38) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL30206692 | 0.64 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2ANPC1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002085897-A9 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2004-04-01 | — | — | WO | claimed |
| EP-1373263-A1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | Torrent Pharmaceuticals Ltd (IN) | 2004-01-02 | — | — | EP | claimed |
| WO-2002085897-A1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2002-10-31 | — | — | WO | claimed |
| WO-2002085897-A9 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | SANKARANARAYANAN ALANGUDI (IN) | 2004-04-01 | — | — | WO | disclosed |