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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 16/20 | 0.53 |
| ▸ | ITGAV | P06756 | 5/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 SCHEMBL6953150 | 1.00 | ITGB3 (0.53) | ITGB3ITGA2BITGAVOPRK1 | |
| SCHEMBL6953379 | 0.87 | ITGB3 (0.57) | ITGB3ITGA2BITGAV | |
| SCHEMBL7442279 | 0.85 | ITGB3 (0.57) | ITGB3ITGA2BITGAVOPRK1 | |
| SCHEMBL7433624 | 0.83 | ITGB3 (0.60) | ITGB3ITGA2BITGAVOPRK1 | |
| SCHEMBL7438459 | 0.77 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL7438453 | 0.77 | ITGB3 (0.59) | ITGB3ITGA2BITGAV | |
| SCHEMBL7441813 | 0.77 | ITGB3 (0.69) | ITGB3ITGA2BITGAV | |
| SCHEMBL7441820 | 0.77 | ITGB3 (0.69) | ITGB3ITGA2BITGAV | |
| SCHEMBL6947987 | 0.76 | ITGB3 (0.68) | ITGB3ITGA2BITGAV | |
| SCHEMBL6947990 | 0.76 | ITGB3 (0.68) | ITGB3ITGA2BITGAV |
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-0674623-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |