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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | SCD | O00767 | 7/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | RAB9A | P51151 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12199455 | 0.99 | SMN1; SMN2 (0.59) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| Bromide SCHEMBL2483413 | 0.92 | SMN1; SMN2 (0.69) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| Bromide SCHEMBL2482099 | 0.92 | SMN1; SMN2 (0.61) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199451 | 0.91 | SMN1; SMN2 (0.62) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199452 | 0.91 | SMN1; SMN2 (0.70) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199468 | 0.91 | MAPT (0.59) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199462 | 0.90 | SCD (0.61) | SMN1; SMN2MAPTTP53SCDNPC1 | |
| Bromide SCHEMBL2482565 | 0.89 | MAPT (0.67) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199467 | 0.88 | MAPT (0.68) | SMN1; SMN2MAPTTP53SCDLRRK2 | |
| SCHEMBL12199457 | 0.88 | SCD (0.67) | SMN1; SMN2MAPTTP53SCDLRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2376463-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | Bayer Pharma Aktiengesellschaft (DE) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | disclosed |