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 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27277602 | 0.85 | NFE2L2 (0.39) | NFE2L2NPC1RAB9AHPGDMEN1 | |
| Bromide SCHEMBL27278868 | 0.78 | NFE2L2 (0.42) | NFE2L2NPC1RAB9AHPGDKCNN4 | |
| SCHEMBL10523324 | 0.77 | ESR1 (0.46) | NFE2L2ACHEIDO1TDO2CES2 | |
| Bromide SCHEMBL27279363 | 0.76 | RAB9A (0.38) | NFE2L2CES2CES1NPC1RAB9A | |
| SCHEMBL8915062 | 0.76 | NFE2L2 (0.42) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL2932036 | 0.74 | CA2 (0.47) | MEN1KMT2AMAPK1GAAESR2 | |
| SCHEMBL8740925 | 0.71 | ACHE (0.42) | NFE2L2ACHEIDO1CES2CES1 | |
| SCHEMBL778059 | 0.71 | CES2 (0.43) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL31258324 | 0.71 | CES2 (0.43) | NFE2L2ACHECES2CES1NPC1 | |
| Iodide SCHEMBL8529104 | 0.71 | CA2 (0.45) | MEN1KMT2AMAPK1GAAESR2 |
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-1016336-B | Olefines pesticide composition and preparation method thereof | ICI PLC (GB) | 1992-04-22 | — | — | CN | disclosed |
| CN-86106692-A | Olefines as sterilant | — | 1987-03-18 | — | — | CN | disclosed |