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 | 0.49 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MIF | P14174 | 6/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4307545 | 0.99 | SLC16A3 (0.50) | SLC16A3ALKESR2MAPTALDH1A1 | |
| Sulfuric Acid SCHEMBL4302928 | 0.93 | SLC16A3 (0.47) | SLC16A3ALKESR2MAPTALDH1A1 | |
| SCHEMBL4303945 | 0.91 | ALDH1A1 (0.40) | SLC16A3ALKESR2MAPTALDH1A1 | |
| SCHEMBL4313080 | 0.90 | ALDH1A1 (0.39) | SLC16A3ALKESR2MAPTALDH1A1 | |
| SCHEMBL4303896 | 0.88 | SLC16A3 (0.41) | SLC16A3ALKMAPTALDH1A1HPGD | |
| Bromide SCHEMBL4301403 | 0.87 | SLC16A3 (0.55) | SLC16A3ALKESR2MAPTALDH1A1 | |
| SCHEMBL4301601 | 0.85 | SLC16A3 (0.56) | SLC16A3ALKESR2MAPTALDH1A1 | |
| SCHEMBL4303899 | 0.84 | SLC16A3 (0.40) | SLC16A3ALKESR2MAPTALDH1A1 | |
| Bromide SCHEMBL4303924 | 0.83 | SLC16A3 (0.51) | SLC16A3ALKALDH1A1NPC1RAB9A | |
| Bromide SCHEMBL4305879 | 0.83 | SLC16A3 (0.55) | SLC16A3ALKESR2MAPTALDH1A1 |
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-2009124800-A1 | CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN | HENKEL AG & CO. KGAA (DE) | 2009-10-15 | — | — | WO | disclosed |