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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 7/20 | 0.36 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11683759 | 0.96 | EPHX1 (0.39) | BLMTDP1EPHX1ACHEMMP2 | |
| SCHEMBL21132349 | 0.83 | NOS3 (0.50) | EPHX1ACHEMMP2NOS3NOS1 | |
| SCHEMBL11844558 | 0.77 | — | — | |
| Iodide SCHEMBL10423707 | 0.76 | EPHX1 (0.40) | EPHX1ACHEMMP2MEN1KMT2A | |
| SCHEMBL11060826 | 0.74 | — | — | |
| Bromide SCHEMBL11240808 | 0.74 | RRM1 (0.41) | TDP1EPHX1NOS3NOS1NOS2 | |
| SCHEMBL6543354 | 0.71 | EPHX1 (0.46) | EPHX1TSHR | |
| SCHEMBL1286347 | 0.71 | EPHX1 (0.40) | EPHX1ACHEMMP2MEN1KMT2A | |
| SCHEMBL9725656 | 0.71 | EPHX1 (0.50) | EPHX1ACHEMMP2TSHRMEN1 | |
| SCHEMBL11586615 | 0.71 | ZDHHC20 (0.44) | EPHX1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-3935266-A | BRADYKININ AND HISTAMINE ANTAGONIST, ANTIINFLAMMATORY | TAIHO PHARMACEUTICAL COMPANY, LIMITED (JA) | 1976-01-27 | — | — | US | disclosed |