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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.30 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | IDO1 | P14902 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27614865 | 0.96 | CYP17A1 (0.40) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6 | |
| Bromide SCHEMBL27754534 | 0.81 | CYP17A1 (0.40) | CYP17A1CYP19A1 | |
| SCHEMBL11601811 | 0.79 | CYP17A1 (0.41) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL27677508 | 0.79 | CYP17A1 (0.41) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28309476 | 0.79 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28122988 | 0.79 | CYP17A1 (0.42) | CYP17A1CYP19A1TBXAS1 | |
| Bromide SCHEMBL28532863 | 0.79 | CYP17A1 (0.38) | CYP17A1CYP19A1 | |
| SCHEMBL5455751 | 0.79 | CYP19A1 (0.40) | CYP17A1CYP19A1CYP3A4CYP1A2CYP2D6 | |
| Bromide SCHEMBL28288588 | 0.78 | KDM4E (0.39) | CYP17A1CYP19A1KMT2A | |
| Hydrochloric Acid SCHEMBL28775270 | 0.78 | CYP17A1 (0.40) | CYP17A1CYP19A1 |
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-105026371-A | Process for preparing 1-alkyl-3-alkyl-pyridinium bromides and their use as additives in electrochemical cells | BROMINE COMPOUNDS LTD | 2015-11-04 | — | — | CN | disclosed |