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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.90 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.40 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1540946 | 0.95 | — | — | |
| SCHEMBL31727565 | 0.95 | — | — | |
| SCHEMBL22823872 | 0.95 | — | — | |
| SCHEMBL231562 | 0.95 | — | — | |
| SCHEMBL6094253 | 0.90 | — | — | |
| Fluoride SCHEMBL28201833 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4824565 | 0.90 | CCR5 (0.90) | CCR5MAN1B1FUCA1GBA1GLA | |
| Hydrochloric Acid SCHEMBL4829332 | 0.90 | — | — | |
| Nitric Oxide SCHEMBL6095520 | 0.82 | CCR5 (0.75) | CCR5MAN1B1FUCA1GBA1GLA | |
| SCHEMBL879636 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010108268-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-09-30 | — | — | WO | disclosed |