Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 14/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 14/20 | 0.49 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 SCHEMBL9412436 | 0.95 | ITGB3 (0.47) | ITGB3ITGA2BITGA2HDAC1BRD4 | |
| Bromide SCHEMBL9412576 | 0.94 | ITGB3 (0.47) | ITGB3ITGA2BITGA2HDAC1HDAC8 | |
| SCHEMBL9412477 | 0.91 | HDAC1 (0.42) | ITGB3ITGA2BITGA2HDAC1HDAC8 | |
| Bromide SCHEMBL9412639 | 0.90 | ITGB3 (0.51) | ITGB3ITGA2BITGA2HDAC1 | |
| SCHEMBL9412609 | 0.87 | HDAC1 (0.44) | ITGB3ITGA2BITGA2HDAC1BRD4 | |
| Bromide SCHEMBL9412462 | 0.85 | ITGB3 (0.56) | ITGB3ITGA2BITGA2 | |
| SCHEMBL9412505 | 0.85 | TSHR (0.45) | HDAC1HDAC8BRD4 | |
| SCHEMBL9188544 | 0.84 | ITGB3 (0.57) | ITGB3ITGA2BITGA2 | |
| SCHEMBL9412697 | 0.82 | SMN1; SMN2 (0.47) | ITGB3ITGA2BITGA2HDAC1BRD4 | |
| SCHEMBL9412439 | 0.81 | ITGB3 (0.56) | ITGB3ITGA2BITGA2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |