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 | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.91 |
| ▸ | CCR5 | P51681 | 2/20 | 0.91 |
| ▸ | CCR8 | P51685 | 2/20 | 0.91 |
| ▸ | NOS3 | P29474 | 2/20 | 0.57 |
| ▸ | NOS1 | P29475 | 2/20 | 0.57 |
| ▸ | NOS2 | P35228 | 2/20 | 0.57 |
| ▸ | PLAU | P00749 | 1/20 | 0.52 |
| ▸ | SYK | P43405 | 6/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 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 | |
|---|---|---|---|---|
| SCHEMBL182529 | 0.95 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL29395249 | 0.95 | CCR1 (1.00) | CCR1CCR5CCR8NOS3NOS1 | |
| Methane SCHEMBL21386924 | 0.93 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL28212407 | 0.93 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL9135460 | 0.93 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL8746042 | 0.93 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL29903189 | 0.93 | CCR1 (0.95) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL30957052 | 0.87 | CCR1 (0.83) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL196913 | 0.87 | CCR1 (0.83) | CCR1CCR5CCR8NOS3NOS1 | |
| SCHEMBL30656659 | 0.87 | CCR1 (0.83) | CCR1CCR5CCR8NOS3NOS1 |
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 |