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 | 2/20 | 0.32 |
| ▸ | CCR1 | P32246 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | CCR8 | P51685 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 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 SCHEMBL30917887 | 0.98 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL31258695 | 0.98 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| Hydrochloric Acid SCHEMBL23538061 | 0.98 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL347025 | 0.95 | CCR1 (0.48) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL29373631 | 0.95 | CCR1 (0.48) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL29453375 | 0.95 | CCR1 (0.48) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL117845 | 0.93 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL2783812 | 0.93 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| SCHEMBL335953 | 0.93 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 | |
| Lithium SCHEMBL31260758 | 0.93 | CCR1 (0.46) | CCR1CCR5CCR8KIF11METAP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539168-A | Method for synthesizing Piraglianin and analogues thereof | 武汉大学 | 2022-05-27 | — | — | CN | claimed |
| CN-114539168-B | Method for synthesizing Piraglatin and analogues thereof | 武汉大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-114539168-A | Method for synthesizing Piraglianin and analogues thereof | 武汉大学 | 2022-05-27 | — | — | CN | disclosed |