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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.35 |
| ▸ | CHKA known ✓ | P35790 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8888561 | 0.88 | KDM4E (0.40) | CYP2D6CYP2C19ALDH1A1KDM4EHPGD | |
| Bromide SCHEMBL8888376 | 0.88 | BCHE (0.31) | CYP2D6CYP2C19ACHEMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8887285 | 0.85 | KDM4E (0.38) | CYP2D6ALDH1A1KDM4EHPGDNPC1 | |
| Bromide SCHEMBL8890436 | 0.84 | KDM1A (0.33) | ALDH1A1KDM4EACHEMAPTBCHE | |
| SCHEMBL9231688 | 0.83 | KDM1A (0.34) | ALDH1A1KDM4EACHEMAPTBCHE | |
| Bromide SCHEMBL8889285 | 0.82 | MEN1 (0.51) | CYP2C19ALDH1A1SMN1; SMN2KDM4EHTT | |
| Hydrochloric Acid SCHEMBL9229544 | 0.82 | ACHE (0.41) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| Bromide SCHEMBL3722372 | 0.78 | CYP2D6 (0.41) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL13153777 | 0.76 | CYP2D6 (0.42) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL8889445 | 0.75 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2NPC1GLARAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631264-A | NEUROLOGICAL DISORDERS | SANOFI WINTHROP, INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5554620-A | Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof | STERLING WINTHROP INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0656359-A1 | Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof | STERLING WINTHROP INC. (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0648769-A1 | 12-Hetero-substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| US-5380729-A | Treatment or prevention of neurodegenerative disorders or neurotoxic injuries | STERLING WINTHROP INC. (US) | 1995-01-10 | — | — | US | disclosed |