Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.49 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11828624 | 0.98 | TSHR (0.62) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL29107019 | 0.98 | TSHR (0.62) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL7889662 | 0.97 | TSHR (0.65) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL11519959 | 0.92 | TSHR (0.68) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL377121 | 0.92 | TSHR (0.67) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| Hydrochloric Acid SCHEMBL28815044 | 0.88 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL5366005 | 0.87 | TSHR (0.70) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL10950894 | 0.85 | TSHR (0.63) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| Bromide SCHEMBL28815131 | 0.85 | TSHR (0.53) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 | |
| SCHEMBL3287540 | 0.85 | TSHR (0.72) | TSHRHPGDALDH1A1CYP3A4ZDHHC20 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114891155-A | Long-chain alkane quaternary ammonium salt polymer disinfectant, preparation method thereof and disinfectant | 水木聚力接枝新技术(深圳)有限责任公司 | 2022-08-12 | — | — | CN | disclosed |