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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 16/20 | 0.67 |
| ▸ | NOS2 | P35228 | 16/20 | 0.67 |
| ▸ | NOS3 | P29474 | 11/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27435911 | 1.00 | NOS1 (0.67) | NOS1NOS2NOS3GABRA1GABRR1 | |
| Bromide SCHEMBL27458351 | 1.00 | NOS1 (0.67) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL27546369 | 0.98 | NOS1 (0.69) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL27437739 | 0.98 | NOS1 (0.69) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL27459175 | 0.98 | NOS1 (0.69) | NOS1NOS2NOS3GABRA1GABRR1 | |
| Bromide SCHEMBL27459540 | 0.84 | NOS1 (0.46) | NOS1NOS2NOS3GABRA1GABRR1 | |
| Bromide SCHEMBL27459541 | 0.84 | NOS1 (0.46) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL27501466 | 0.82 | NOS1 (0.47) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL27501467 | 0.82 | NOS1 (0.47) | NOS1NOS2NOS3GABRA1GABRR1 | |
| SCHEMBL6191141 | 0.80 | NOS1 (1.00) | NOS1NOS2NOS3GABRA1GABRR1 |
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-1124734-A | Thiazine- or thiazepine-derivatives | JAPAN TOBACCO INC (JP) | 1996-06-19 | — | — | CN | disclosed |