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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1536203 | 0.95 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Ammonia Solution, Strong SCHEMBL3661841 | 0.95 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Bromide SCHEMBL3872913 | 0.95 | CASP1 (0.47) | CASP1LMNAADORA2AADORA1POLB | |
| Bromide SCHEMBL28230753 | 0.90 | CASP1 (0.44) | CASP1LMNAADORA2AADORA1POLB | |
| Hydrochloric Acid SCHEMBL28275754 | 0.90 | CASP1 (0.44) | CASP1LMNAADORA2AADORA1POLB | |
| Ammonia Solution, Strong SCHEMBL27642974 | 0.90 | CASP1 (0.44) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL25853 | 0.89 | — | — | |
| SCHEMBL8465809 | 0.89 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL9579151 | 0.89 | CASP1 (0.50) | CASP1LMNAADORA2AADORA1POLB | |
| SCHEMBL29876207 | 0.89 | — | — |
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-109161095-B | Flame-retardant polypropylene material prepared from modified non-woven fabric reclaimed material and preparation method thereof | 中广核俊尔新材料有限公司 | 2020-12-25 | — | — | CN | disclosed |