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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 16/20 | 0.69 |
| ▸ | NPC1 | O15118 | 4/20 | 0.69 |
| ▸ | RAB9A | P51151 | 4/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12199261 | 0.99 | SCD (0.70) | SCDNPC1RAB9AMEN1KMT2A | |
| Perchlorate SCHEMBL2479573 | 0.95 | SCD (0.65) | SCDNPC1RAB9AMEN1KMT2A | |
| Bromide SCHEMBL2482236 | 0.91 | SCD (0.68) | SCDNPC1RAB9AMEN1KMT2A | |
| SCHEMBL2481782 | 0.90 | SCD (0.61) | SCDNPC1RAB9AMEN1KMT2A | |
| SCHEMBL12199433 | 0.90 | SCD (0.70) | SCDNPC1RAB9AMEN1KMT2A | |
| SCHEMBL2480976 | 0.89 | MEN1 (0.59) | SCDNPC1RAB9AMEN1KMT2A | |
| Bromide SCHEMBL2479824 | 0.88 | SCD (0.84) | SCDNPC1RAB9AMEN1KMT2A | |
| Bromide SCHEMBL2485498 | 0.87 | SCD (0.80) | SCDNPC1RAB9AMEN1KMT2A | |
| SCHEMBL12199258 | 0.87 | SCD (0.86) | SCDNPC1RAB9AMEN1KMT2A | |
| Bromide SCHEMBL2483672 | 0.87 | SMN1; SMN2 (0.58) | SCDNPC1RAB9AMEN1KMT2A |
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 |