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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 1/20 | 0.51 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27857096 | 0.98 | DDAH1 (0.53) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| SCHEMBL27857023 | 0.82 | PARP1 (0.52) | — | |
| SCHEMBL27873817 | 0.80 | PARP1 (0.47) | — | |
| SCHEMBL2900206 | 0.79 | DDAH1 (0.55) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| SCHEMBL4919557 | 0.79 | DDAH1 (0.55) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| SCHEMBL12263999 | 0.77 | DDAH1 (0.53) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| SCHEMBL1918625 | 0.77 | DDAH1 (0.53) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| Iodide SCHEMBL2892306 | 0.77 | DDAH1 (0.53) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| Iodide SCHEMBL2900267 | 0.77 | DDAH1 (0.53) | DDAH1TNKS2ADORA1ADORA3ADORA2A | |
| SCHEMBL21263296 | 0.77 | DDAH1 (0.49) | DDAH1TNKS2ADORA1ADORA3ADORA2A |
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-107205944-A | For correcting weak and/or chronic fatigue syndrome symptom or treating weak and/or chronic fatigue syndrome pharmaceutical composition | 瓦伦塔有限责任公司 | 2017-09-26 | — | — | CN | disclosed |