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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.30 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 SCHEMBL28187696 | 0.87 | TSHR (0.42) | TSHRHPGDTHRBALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL2399413 | 0.86 | TSHR (0.35) | TSHRHPGDALDH1A1CYP3A4 | |
| SCHEMBL15253857 | 0.86 | TSHR (0.43) | TSHRHPGDTHRBMAPTTHRA | |
| SCHEMBL6355718 | 0.85 | TSHR (0.44) | TSHRHPGDTHRBALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL2473231 | 0.83 | TSHR (0.42) | TSHRHPGDTHRBALDH1A1CYP3A4 | |
| Bromide SCHEMBL27905014 | 0.83 | TSHR (0.43) | TSHRHPGDTHRBMAPTTHRA | |
| SCHEMBL27847719 | 0.81 | TSHR (0.44) | TSHRHPGDTHRBMAPTTHRA | |
| SCHEMBL13719605 | 0.81 | TSHR (0.44) | TSHRHPGDTHRBMAPTTHRA | |
| Hydrochloric Acid SCHEMBL28703204 | 0.80 | TSHR (0.40) | TSHRHPGDTHRBALDH1A1CYP3A4 | |
| Iodide SCHEMBL28241180 | 0.79 | TSHR (0.43) | TSHRHPGDTHRBMAPTTHRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110745852-B | Preparation method of high-stability polymeric aluminum chloride | 南京工业大学 | 2021-01-12 | — | — | CN | claimed |
| CN-110745852-A | Preparation method of high-stability polymeric aluminum chloride | 南京工业大学 | 2020-02-04 | — | — | CN | claimed |
| CN-110745852-B | Preparation method of high-stability polymeric aluminum chloride | 南京工业大学 | 2021-01-12 | — | — | CN | disclosed |
| CN-110745852-A | Preparation method of high-stability polymeric aluminum chloride | 南京工业大学 | 2020-02-04 | — | — | CN | disclosed |