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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 6/20 | 0.50 |
| ▸ | CETP | P11597 | 3/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.48 |
| ▸ | SIRT3 | Q9NTG7 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.47 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8967232 | 0.88 | DNM1 (0.54) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| Bromide SCHEMBL11824683 | 0.86 | TDP1 (0.53) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| Fluoride Ion SCHEMBL2395307 | 0.86 | DNM1 (0.52) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL2457043 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL6832768 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL1322235 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL3836540 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL296362 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL872955 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 | |
| SCHEMBL9802928 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AHPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3931238-A | BETAINE CATALYST | CONTINENTAL OIL COMPANY (US) | 1976-01-06 | — | — | US | disclosed |