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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KHK | P50053 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412664 | 0.89 | PDE3B (0.42) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| Bromide SCHEMBL9412526 | 0.86 | HDAC6 (0.44) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| SCHEMBL9412444 | 0.85 | HDAC6 (0.45) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| Bromide SCHEMBL9412580 | 0.81 | KDM4E (0.52) | RECQLKMT2AALDH1A1KDM4ENPC1 | |
| Bromide SCHEMBL9412462 | 0.80 | ITGB3 (0.56) | ITGB3ITGA2B | |
| Bromide SCHEMBL9412485 | 0.80 | PDE3B (0.50) | HDAC6ITGB3ITGA2B | |
| Bromide SCHEMBL9412756 | 0.80 | CNR2 (0.43) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| SCHEMBL9188544 | 0.79 | ITGB3 (0.57) | ITGB3ITGA2B | |
| Bromide SCHEMBL9412705 | 0.79 | MEN1 (0.50) | HDAC6MEN1RECQLKMT2AITGB3 | |
| Bromide SCHEMBL9412454 | 0.79 | HDAC6 (0.40) | HDAC1HDAC6HDAC8HDAC3HDAC4 |
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 |