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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | QPCT | Q16769 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL217284 | 0.97 | — | — | |
| Pyridine SCHEMBL6905947 | 0.85 | TSHR (0.41) | NFKB1QPCTHSD17B10QPCTLTBXAS1 | |
| 1-Methylimidazole SCHEMBL29178524 | 0.85 | NFKB1 (0.68) | NFKB1QPCTHSD17B10QPCTLTBXAS1 | |
| SCHEMBL10503985 | 0.80 | NFKB1 (0.46) | NFKB1QPCTHSD17B10QPCTLHTT | |
| SCHEMBL6709694 | 0.73 | TBXAS1 (0.53) | QPCTTBXAS1 | |
| SCHEMBL28540621 | 0.73 | CYP19A1 (0.33) | CYP19A1 | |
| SCHEMBL12020402 | 0.73 | NFKB1 (0.43) | NFKB1QPCTHSD17B10QPCTLHTT | |
| SCHEMBL40476 | 0.72 | NFKB1 (0.39) | NFKB1QPCTHSD17B10QPCTLTBXAS1 | |
| SCHEMBL21461069 | 0.72 | NFKB1 (0.39) | NFKB1QPCTHSD17B10QPCTLTBXAS1 | |
| SCHEMBL918948 | 0.72 | NFKB1 (0.39) | NFKB1QPCTHSD17B10QPCTLCYP19A1 |
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-112251240-B | Quaternary ammonium salt ionic liquid crystal polymer with temperature control electronic switch performance and preparation method and application thereof | 东北大学 | 2022-04-12 | — | — | CN | disclosed |
| CN-112251240-A | Quaternary ammonium salt ionic liquid crystal polymer with temperature control electronic switch performance and preparation method and application thereof | 东北大学 | 2021-01-22 | — | — | CN | disclosed |