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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.71 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.59 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NCF1 | P14598 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11201497 | 0.86 | HRH3 (0.94) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL4277270 | 0.84 | HRH3 (1.00) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| Hydrochloric Acid SCHEMBL11196296 | 0.84 | HRH3 (0.90) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| Bromide SCHEMBL27778714 | 0.82 | HRH3 (0.69) | HRH3ALDH1A1NCF1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7468055 | 0.81 | HRH3 (0.95) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL6057527 | 0.79 | HRH3 (0.81) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| Bromide SCHEMBL7067746 | 0.78 | HRH3 (0.71) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| Bromide SCHEMBL7067740 | 0.78 | HRH3 (0.71) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL6057453 | 0.77 | HRH3 (0.77) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL7937990 | 0.77 | ALDH1A1 (0.95) | HRH3HRH4ALDH1A1KDM4EMBTD1 |
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-101336239-A | Substituted oxindole derivatives, medicaments containing these derivatives and their use | ABBOTT GMBH & CO KG (DE) | 2008-12-31 | — | — | CN | disclosed |