Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 SCHEMBL4740972 | 1.00 | MAPK1 (0.42) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL1340475 | 0.80 | MAPK1 (0.41) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL1340618 | 0.75 | MAPK1 (0.43) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL4741193 | 0.75 | MAPT (0.43) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL1340344 | 0.75 | MAPT (0.43) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| SCHEMBL4741560 | 0.73 | MAPT (0.44) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| SCHEMBL4741561 | 0.73 | MAPT (0.44) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL1339378 | 0.69 | MAPT (0.41) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| Bromide SCHEMBL1339379 | 0.69 | MAPT (0.41) | MAPK1ALDH1A1HTTTSHRKDM4E | |
| SCHEMBL8800643 | 0.68 | MAPT (0.41) | MAPK1ALDH1A1HTTTSHRKDM4E |
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-2008087611-A2 | PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-24 | — | — | WO | disclosed |