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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.39 |
| ▸ | CHRM1 known ✓ | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.39 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 SCHEMBL26905302 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bromide SCHEMBL15916470 | 0.88 | TRAP1 (0.44) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL26905339 | 0.86 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Iodide SCHEMBL26905320 | 0.86 | CHRNA7 (0.46) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Iodide SCHEMBL30679543 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bromide SCHEMBL31315837 | 0.76 | TSHR (0.46) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| SCHEMBL112783 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bromide SCHEMBL26905299 | 0.76 | MEN1 (0.40) | CYP1A2TSHRMEN1KMT2ACHRM1 | |
| Bromide SCHEMBL20874265 | 0.75 | CYP1A2 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Bromide SCHEMBL28692757 | 0.75 | CYP4F2 (0.48) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113372305-B | Preparation method of eribulin intermediate | 南京圣鼎医药科技有限公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-113372305-A | Preparation method of eribulin intermediate | 南京圣鼎医药科技有限公司 | 2021-09-10 | — | — | CN | disclosed |