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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 7/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.45 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL9412632 | 0.90 | HDAC6 (0.42) | HDAC6POLBTP53LMNAMAPT | |
| Bromide SCHEMBL9412462 | 0.84 | ITGB3 (0.56) | ITGB3ITGA2BITGA2POLBMAPT | |
| SCHEMBL9188544 | 0.83 | ITGB3 (0.57) | ITGB3ITGA2BITGA2POLBMAPT | |
| Bromide SCHEMBL9412590 | 0.82 | HDAC6 (0.48) | ITGB3ITGA2BITGA2HDAC6POLB | |
| SCHEMBL9412443 | 0.82 | HDAC6 (0.48) | ITGB3ITGA2BITGA2HDAC6POLB | |
| SCHEMBL9412673 | 0.81 | ITGB3 (0.48) | ITGB3ITGA2BITGA2HDAC6TP53 | |
| Bromide SCHEMBL9412482 | 0.77 | ITGB3 (0.49) | ITGB3ITGA2BITGA2HDAC6HDAC1 | |
| SCHEMBL9412592 | 0.76 | HDAC6 (0.43) | HDAC6POLBHDAC1LMNAMAPT | |
| Bromide SCHEMBL9412639 | 0.75 | ITGB3 (0.51) | ITGB3ITGA2BITGA2TP53HDAC1 | |
| SCHEMBL9412623 | 0.74 | MAPT (0.46) | ITGB3ITGA2BITGA2HDAC6POLB |
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 |