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 | 1/20 | 0.31 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.30 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.30 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.30 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.30 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL28248448 | 0.89 | TSHR (0.51) | TSHRHPGDALDH1A1TP53HIF1A | |
| Bromide SCHEMBL28187197 | 0.89 | TSHR (0.51) | TSHRHPGDALDH1A1TP53HIF1A | |
| Hydrochloric Acid SCHEMBL28912715 | 0.84 | TSHR (0.47) | TSHRHPGDALDH1A1TP53HIF1A | |
| Bromide SCHEMBL31280690 | 0.82 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| Iodide SCHEMBL31281208 | 0.79 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| Hydrochloric Acid SCHEMBL28613326 | 0.79 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL9066024 | 0.76 | TSHR (0.46) | TSHRHPGDALDH1A1TP53HIF1A | |
| Bromide SCHEMBL20235975 | 0.76 | TSHR (0.56) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL28057251 | 0.75 | TSHR (0.53) | TSHRHPGDALDH1A1TP53HIF1A | |
| Bromide SCHEMBL1254964 | 0.75 | GALR3 (0.57) | TSHRHPGDALDH1A1TP53HIF1A |
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-106084243-B | The method that backbone modification isocyanates grafted cation side chain prepares polycarboxylate water-reducer | 北京工业大学 | 2019-03-22 | — | — | CN | claimed |
| CN-106084243-A | The method that polycarboxylate water-reducer prepared by backbone modification isocyanates grafted cation side chain | 北京工业大学 | 2016-11-09 | — | — | CN | claimed |